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120004-07-1 | Thieno[2,3-b]pyridine-5-carboxylic acid, 4,7-dihydro-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-, methyl ester
CAS No: 120004-07-1 Catalog No: AG000Q2Z MDL No:
Product Description
Catalog Number:
AG000Q2Z
Chemical Name:
Thieno[2,3-b]pyridine-5-carboxylic acid, 4,7-dihydro-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-, methyl ester
CAS Number:
120004-07-1
Molecular Formula:
C20H22N2O4S
Molecular Weight:
386.4647
IUPAC Name:
methyl 6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
InChI:
InChI=1S/C20H22N2O4S/c1-11(2)8-14-10-27-19-18(14)17(16(12(3)21-19)20(23)26-4)13-6-5-7-15(9-13)22(24)25/h5-7,9-11,17,21H,8H2,1-4H3
InChI Key:
UTLPUICHKZBRCI-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(C)Nc2c(C1c1cccc(c1)[N+](=O)[O-])c(cs2)CC(C)C
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.13g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.466g/mol
Monoisotopic Mass:
386.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Protective effects of a selective L-type voltage-sensitive calcium channel blocker, S-312-d, on neuronal cell death. | Biochemical pharmacology 20040315 |
| Pharmacological studies on a new dihydrothienopyridine calcium antagonist, S-312-d. 5th communication: anticonvulsant effects in mice. | Japanese journal of pharmacology 19940601 |
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