2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide
2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide
Compound characteristics
| Compound ID: | 4277-0867 |
| Compound Name: | 2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide |
| Molecular Weight: | 508.66 |
| Molecular Formula: | C26 H28 N4 O3 S2 |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCSc2ccc(C)cc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.12 |
| logD: | 4.19 |
| logSw: | -7.01 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 189.05 |
| InChI Key: | PCSPWGIDNXWHCO-UHFFFAOYSA-N |