butyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
butyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
butyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4088-0295 |
| Compound Name: | butyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C24 H25 N3 O4 S |
| Smiles: | CCCCOC(CSC1=C(C#N)C(C(=C(C)N1)C(Nc1ccccc1)=O)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0887 |
| logD: | 3.2477 |
| logSw: | -3.9465 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.224 |
| InChI Key: | TWKUBKOQNMNEFU-JOCHJYFZSA-N |