N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide
Compound characteristics
| Compound ID: | 4272-0213 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide |
| Molecular Weight: | 508.66 |
| Molecular Formula: | C26 H28 N4 O3 S2 |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCSc2ccc(C)cc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.25 |
| logD: | 4.32 |
| logSw: | -6.9 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 188.4 |
| InChI Key: | QTVGKPKXUILYSF-UHFFFAOYSA-N |