6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4296-0864 |
| Compound Name: | 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 593.5 |
| Molecular Formula: | C28 H25 Br N4 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(cc1)[Br])=O)c1ccc(C)o1)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5119 |
| logD: | 4.6709 |
| logSw: | -5.4383 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.096 |
| InChI Key: | VWPWNJFIFCYGTK-AREMUKBSSA-N |