2-{[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
2-{[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | V006-6644 |
| Compound Name: | 2-{[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide |
| Molecular Weight: | 376.49 |
| Molecular Formula: | C19 H25 F N4 O S |
| Smiles: | CC(C)N(C(C)C)C(CSc1nnc(c2ccccc2F)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6206 |
| logD: | 3.6206 |
| logSw: | -3.7887 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.042 |
| InChI Key: | XWQYGBRTLPDCBS-UHFFFAOYSA-N |