5-cyano-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 5542-0116 |
| Compound Name: | 5-cyano-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C29 H28 N4 O5 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cccc(c1)OC)=O)c1ccc(C)o1)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7445 |
| logD: | 3.9034 |
| logSw: | -4.5355 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.64 |
| InChI Key: | BNYSKLPQOXDONW-HHHXNRCGSA-N |