N-(3-acetamidophenyl)-2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-acetamidophenyl)-2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-acetamidophenyl)-2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y508-7713 |
| Compound Name: | N-(3-acetamidophenyl)-2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C22 H24 N6 O2 S |
| Smiles: | CC(Nc1cccc(c1)NC(CSc1nnc(CNc2ccccc2)n1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4729 |
| logD: | 2.4729 |
| logSw: | -2.7986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.113 |
| InChI Key: | JSTKNZQLKSKCAD-UHFFFAOYSA-N |