N-[(4-chlorophenyl)methyl]-1-methyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-1-methyl-1H-benzotriazole-5-carboxamide
N-[(4-chlorophenyl)methyl]-1-methyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-0033 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-1-methyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 300.75 |
| Molecular Formula: | C15 H13 Cl N4 O |
| Smiles: | Cn1c2ccc(cc2nn1)C(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2346 |
| logD: | 2.2345 |
| logSw: | -3.5257 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.635 |
| InChI Key: | CADALBVTDGDTBS-UHFFFAOYSA-N |