6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-3-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-3-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-3-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4088-0047 |
| Compound Name: | 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-3-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 579.47 |
| Molecular Formula: | C27 H23 Br N4 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(cc1)[Br])=O)c1ccoc1)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9961 |
| logD: | 4.2487 |
| logSw: | -4.6283 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.807 |
| InChI Key: | GDWCFLSSYXNICV-VWLOTQADSA-N |