N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(3,4-dihydroquinoline-1(2H)-sulfonyl)benzamide
Chemical Structure Depiction of
N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(3,4-dihydroquinoline-1(2H)-sulfonyl)benzamide
N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(3,4-dihydroquinoline-1(2H)-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 3341-1578 |
| Compound Name: | N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(3,4-dihydroquinoline-1(2H)-sulfonyl)benzamide |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | C1Cc2ccccc2N(C1)S(c1ccc(cc1)C(Nc1ccccc1SCCC#N)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7246 |
| logD: | 3.7242 |
| logSw: | -4.1446 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.276 |
| InChI Key: | BBRGKLDFCBKBOC-UHFFFAOYSA-N |