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Home > Pyridines > 175139-41-0
175139-41-0 | Pyridine, 4-(1-ethylpropoxy)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)-
CAS No: 175139-41-0 Catalog No: AG0020C6 MDL No:
Product Description
Catalog Number:
AG0020C6
Chemical Name:
Pyridine, 4-(1-ethylpropoxy)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)-
CAS Number:
175139-41-0
Molecular Formula:
C21H29NO2
Molecular Weight:
327.4605
IUPAC Name:
3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine
InChI:
InChI=1S/C21H29NO2/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3
InChI Key:
ZSEJGVQTBLJRCQ-UHFFFAOYSA-N
SMILES:
CCC(Oc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC
UNII:
GNW87JO5PF
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.22g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.468g/mol
Monoisotopic Mass:
327.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
Literature
| Title | Journal |
|---|---|
| Behavioral, biological, and chemical perspectives on targeting CRF(1) receptor antagonists to treat alcoholism. | Drug and alcohol dependence 20130301 |
| Discovery of N-(1-ethylpropyl)-[3-methoxy-5-(2-methoxy-4-trifluoromethoxyphenyl)-6-methyl-pyrazin-2-yl]amine 59 (NGD 98-2): an orally active corticotropin releasing factor-1 (CRF-1) receptor antagonist. | Journal of medicinal chemistry 20110623 |
| Discovery of pyrrolo[2,3-d]pyrimidin-4-ones as corticotropin-releasing factor 1 receptor antagonists with a carbonyl-based hydrogen bonding acceptor. | Bioorganic & medicinal chemistry letters 20110415 |
| A comparison of ligand based virtual screening methods and application to corticotropin releasing factor 1 receptor. | Journal of molecular graphics & modelling 20090101 |
| Synthesis and SAR of 2-aryloxy-4-alkoxy-pyridines as potent orally active corticotropin-releasing factor 1 receptor antagonists. | Journal of medicinal chemistry 20080313 |
| 2-aryloxy-4-alkylaminopyridines: discovery of novel corticotropin-releasing factor 1 antagonists. | Journal of medicinal chemistry 20080313 |
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