2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8013-4937 |
| Compound Name: | 2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 331.32 |
| Molecular Formula: | C12 H12 F3 N5 O S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(C(F)(F)F)n1N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8942 |
| logD: | 1.8942 |
| logSw: | -2.7132 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.56 |
| InChI Key: | NKXJISACNWPKHG-UHFFFAOYSA-N |