2-{[5-(3-hydroxypropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-hydroxypropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide
2-{[5-(3-hydroxypropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | 8017-4295 |
| Compound Name: | 2-{[5-(3-hydroxypropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | C(Cc1nnc(n1c1ccccc1)SCC(NCC(c1ccccc1)=O)=O)CO |
| Stereo: | ACHIRAL |
| logP: | 1.4193 |
| logD: | 1.4192 |
| logSw: | -2.1233 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.334 |
| InChI Key: | NXGGIJQZDHOHFB-UHFFFAOYSA-N |