2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Compound characteristics
| Compound ID: | G731-0797 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | CC(CCc1ccccc1)NC(CSc1nnc(c2ccc(cc2)OC)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4687 |
| logD: | 2.277 |
| logSw: | -3.8176 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.931 |
| InChI Key: | CRXOANCFYBNFTC-HNNXBMFYSA-N |