2-cyano-3-(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0308 |
| Compound Name: | 2-cyano-3-(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 464.61 |
| Molecular Formula: | C24 H24 N4 O2 S2 |
| Smiles: | CCCc1nnc(NC(C(=C/c2ccc(cc2)OCCSc2ccc(C)cc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.15 |
| logD: | 4.22 |
| logSw: | -6.56 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 183.05 |
| InChI Key: | VDSMWMBCVNYIPQ-UHFFFAOYSA-N |