methyl ({5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate
methyl ({5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 4088-0068 |
| Compound Name: | methyl ({5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 443.91 |
| Molecular Formula: | C21 H18 Cl N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(=O)OC)c1ccco1)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4121 |
| logD: | 2.571 |
| logSw: | -3.9521 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.35 |
| InChI Key: | DZSJGFAOXXPURB-IBGZPJMESA-N |