2-{[5-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
2-{[5-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | Y205-6584 |
| Compound Name: | 2-{[5-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C21 H21 Cl N4 O3 S |
| Smiles: | COc1cccc(c1)NC(CSc1nnc(c2cc(ccc2OC)[Cl])n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.382 |
| logD: | 4.382 |
| logSw: | -4.6235 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.543 |
| InChI Key: | RDGJXEBDDKRYGL-UHFFFAOYSA-N |