N-(2-chloro-4-fluorophenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
N-(2-chloro-4-fluorophenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-0968 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 332.76 |
| Molecular Formula: | C16 H14 Cl F N4 O |
| Smiles: | CC(C)n1c2ccc(cc2nn1)C(Nc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5739 |
| logD: | 3.2956 |
| logSw: | -4.0597 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.798 |
| InChI Key: | LHDOEPKDXYJFBH-UHFFFAOYSA-N |