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Home > Pyridines > 131986-35-1
131986-35-1 | Pyridine, 3-(4-butoxy-1,2,5-thiadiazol-3-yl)-1,2,5,6-tetrahydro-1-methyl-
CAS No: 131986-35-1 Catalog No: AG00100U MDL No:
Product Description
Catalog Number:
AG00100U
Chemical Name:
Pyridine, 3-(4-butoxy-1,2,5-thiadiazol-3-yl)-1,2,5,6-tetrahydro-1-methyl-
CAS Number:
131986-35-1
Molecular Formula:
C12H19N3OS
Molecular Weight:
253.3638
IUPAC Name:
3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
InChI:
InChI=1S/C12H19N3OS/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10/h6H,3-5,7-9H2,1-2H3
InChI Key:
MHWUWCDFTFBXNV-UHFFFAOYSA-N
SMILES:
CCCCOc1nsnc1C1=CCCN(C1)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.125g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.364g/mol
Monoisotopic Mass:
253.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of xanomeline analogs--probing the wash-resistant phenomenon at the M1 muscarinic acetylcholine receptor. | Bioorganic & medicinal chemistry 20080201 |
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