2-{[5-acetyl-3-cyano-6-methyl-4-(4-methylthiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl}-N-(2,4-dibromo-6-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-acetyl-3-cyano-6-methyl-4-(4-methylthiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl}-N-(2,4-dibromo-6-methylphenyl)acetamide
2-{[5-acetyl-3-cyano-6-methyl-4-(4-methylthiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl}-N-(2,4-dibromo-6-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8013-1343 |
| Compound Name: | 2-{[5-acetyl-3-cyano-6-methyl-4-(4-methylthiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl}-N-(2,4-dibromo-6-methylphenyl)acetamide |
| Molecular Weight: | 595.37 |
| Molecular Formula: | C23 H21 Br2 N3 O2 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1c(C)cc(cc1[Br])[Br])=O)c1cc(C)cs1)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2142 |
| logD: | 2.8339 |
| logSw: | -4.9495 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.429 |
| InChI Key: | AURBMTCBHXKMHL-OAQYLSRUSA-N |