2-{[5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl}-N-(adamantan-1-yl)acetamide
Chemical Structure Depiction of
2-{[5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl}-N-(adamantan-1-yl)acetamide
2-{[5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl}-N-(adamantan-1-yl)acetamide
Compound characteristics
| Compound ID: | 8001-5660 |
| Compound Name: | 2-{[5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl}-N-(adamantan-1-yl)acetamide |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C27 H30 N4 O4 S |
| Smiles: | CC1=C(C(C)=O)[C@H](C(C#N)=C(N1)SCC(NC12CC3CC(CC(C3)C2)C1)=O)c1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3645 |
| logD: | 2.1359 |
| logSw: | -4.381 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.905 |
| InChI Key: | JYDJITDXYXLRPG-OQAHHZTMSA-N |