ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0078 |
| Compound Name: | ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 662.23 |
| Molecular Formula: | C34 H32 Cl N3 O5 S2 |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(Nc1c(C(=O)OCC)c2CCCCc2s1)=O)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.493 |
| logD: | 3.1497 |
| logSw: | -6.4387 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.432 |
| InChI Key: | LQLCHMBZNPWDID-HHHXNRCGSA-N |