6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-ethoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-ethoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-ethoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8010-4381 |
| Compound Name: | 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-ethoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 603.54 |
| Molecular Formula: | C30 H27 Br N4 O3 S |
| Smiles: | CCOc1ccccc1C1C(C#N)=C(NC(C)=C1C(Nc1ccccc1)=O)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1753 |
| logD: | 5.4611 |
| logSw: | -5.5311 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.281 |
| InChI Key: | CCODTNBAUPUCRF-NDEPHWFRSA-N |