benzyl ({3-cyano-4-(furan-2-yl)-6-methyl-5-[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
benzyl ({3-cyano-4-(furan-2-yl)-6-methyl-5-[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-2-yl}sulfanyl)acetate
benzyl ({3-cyano-4-(furan-2-yl)-6-methyl-5-[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 8011-7487 |
| Compound Name: | benzyl ({3-cyano-4-(furan-2-yl)-6-methyl-5-[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C28 H25 N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(=O)OCc1ccccc1)c1ccco1)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.671 |
| logD: | 3.8299 |
| logSw: | -4.6176 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.336 |
| InChI Key: | DTAHPVZBWLUDTD-AREMUKBSSA-N |