2-cyano-N~1~-[5-(ethylsulfonyl)-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-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide
Compound characteristics
| Compound ID: | C356-0516 |
| Compound Name: | 2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide |
| Molecular Weight: | 544.67 |
| Molecular Formula: | C24 H24 N4 O5 S3 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCSc2ccc(C)cc2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.66 |
| logD: | 2.31 |
| logSw: | -5.1 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 251.03 |
| InChI Key: | UOVMAIDIWMOGHT-UHFFFAOYSA-N |