6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenyl-1,4-dihydro[4,4'-bipyridine]-3-carboxamide
Chemical Structure Depiction of
6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenyl-1,4-dihydro[4,4'-bipyridine]-3-carboxamide
6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenyl-1,4-dihydro[4,4'-bipyridine]-3-carboxamide
Compound characteristics
| Compound ID: | 8011-7402 |
| Compound Name: | 6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenyl-1,4-dihydro[4,4'-bipyridine]-3-carboxamide |
| Molecular Weight: | 516.02 |
| Molecular Formula: | C27 H22 Cl N5 O2 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(cc1)[Cl])=O)c1ccncc1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1606 |
| logD: | 3.4464 |
| logSw: | -4.8379 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.499 |
| InChI Key: | JTGVKVKUYFBDQA-VWLOTQADSA-N |