2-{[5-acetyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-[2-chloro-5-(morpholine-4-sulfonyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-acetyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-[2-chloro-5-(morpholine-4-sulfonyl)phenyl]acetamide
2-{[5-acetyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-[2-chloro-5-(morpholine-4-sulfonyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 4554-6371 |
| Compound Name: | 2-{[5-acetyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-[2-chloro-5-(morpholine-4-sulfonyl)phenyl]acetamide |
| Molecular Weight: | 577.08 |
| Molecular Formula: | C25 H25 Cl N4 O6 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cc(ccc1[Cl])S(N1CCOCC1)(=O)=O)=O)c1ccco1)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3562 |
| logD: | -0.0241 |
| logSw: | -3.2973 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.307 |
| InChI Key: | AWKALBFIAPUBMZ-XMMPIXPASA-N |