5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 2699-0011 |
| Compound Name: | 5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C27 H22 F N3 O2 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(c1ccc(cc1)F)=O)c1cccs1)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7699 |
| logD: | 4.0518 |
| logSw: | -4.517 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.489 |
| InChI Key: | MCJFNIUOVRWXIQ-VWLOTQADSA-N |