ethyl 5-cyano-6-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-6-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 5-cyano-6-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0106 |
| Compound Name: | ethyl 5-cyano-6-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 617.74 |
| Molecular Formula: | C32 H31 N3 O6 S2 |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(Nc1c(C(=O)OCC)c2CCCCc2s1)=O)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9635 |
| logD: | 1.3044 |
| logSw: | -5.5112 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.01 |
| InChI Key: | XLQNFYDQTWCNLT-RUZDIDTESA-N |