3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0764 |
| Compound Name: | 3-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 529.08 |
| Molecular Formula: | C25 H25 Cl N4 O3 S2 |
| Smiles: | CCCc1nnc(NC(C(=C/c2ccc(c(c2)OCC)OCCSc2ccc(cc2)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.13 |
| logD: | 4.2 |
| logSw: | -6.77 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 181.24 |
| InChI Key: | WACORNZXMIJYTF-UHFFFAOYSA-N |