2-(2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide
Chemical Structure Depiction of
2-(2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide
2-(2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide
Compound characteristics
| Compound ID: | Y205-7011 |
| Compound Name: | 2-(2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1CC=C)SCC(Nc1ccccc1C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.611 |
| logD: | 2.6109 |
| logSw: | -3.3765 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.273 |
| InChI Key: | HFOHZQVHBGUSOH-UHFFFAOYSA-N |