2-{[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
2-{[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | Y205-6261 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C21 H21 Cl N4 O3 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CSc1nnc(c2ccccc2[Cl])n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0181 |
| logD: | 4.018 |
| logSw: | -4.3536 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.845 |
| InChI Key: | ATSYHNXOWKXJDZ-UHFFFAOYSA-N |