N-tert-butyl-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-tert-butyl-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-tert-butyl-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G731-0359 |
| Compound Name: | N-tert-butyl-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 308.38 |
| Molecular Formula: | C14 H17 F N4 O S |
| Smiles: | CC(C)(C)NC(CSc1nnc(c2ccc(cc2)F)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3002 |
| logD: | 1.1085 |
| logSw: | -2.7652 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.041 |
| InChI Key: | LQRHTKGCBFDSLW-UHFFFAOYSA-N |