ethyl 6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0100 |
| Compound Name: | ethyl 6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 541.67 |
| Molecular Formula: | C31 H31 N3 O4 S |
| Smiles: | CCCCc1ccc(cc1)NC(CSC1=C(C#N)C(C(=C(c2ccccc2)N1)C(=O)OCC)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8409 |
| logD: | 2.1818 |
| logSw: | -5.6951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.541 |
| InChI Key: | LNNHPKRYQUGJTR-HHHXNRCGSA-N |