3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0655 |
| Compound Name: | 3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 515.05 |
| Molecular Formula: | C24 H23 Cl N4 O3 S2 |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCSc2ccc(cc2)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.83 |
| logD: | 3.92 |
| logSw: | -6.49 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 187.12 |
| InChI Key: | NKDWZUHQAYQTRD-UHFFFAOYSA-N |