6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4296-0100 |
| Compound Name: | 6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 564.52 |
| Molecular Formula: | C27 H22 Br N3 O2 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(c1ccc(cc1)[Br])=O)c1cccs1)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5747 |
| logD: | 4.8566 |
| logSw: | -5.4618 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.489 |
| InChI Key: | JUXPCBHLXXQQQM-RUZDIDTESA-N |