2-(1H-benzotriazol-1-yl)-N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}acetamide
Chemical Structure Depiction of
2-(1H-benzotriazol-1-yl)-N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}acetamide
2-(1H-benzotriazol-1-yl)-N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}acetamide
Compound characteristics
| Compound ID: | Y501-5953 |
| Compound Name: | 2-(1H-benzotriazol-1-yl)-N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}acetamide |
| Molecular Weight: | 384.8 |
| Molecular Formula: | C18 H14 Cl F N6 O |
| Smiles: | C(c1ccc(cc1[Cl])F)n1ccc(NC(Cn2c3ccccc3nn2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9105 |
| logD: | 2.9096 |
| logSw: | -3.3411 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.77 |
| InChI Key: | AUQRJTXKGYGYQR-UHFFFAOYSA-N |