N-[(4-chlorophenyl)methyl]-1-ethyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-1-ethyl-1H-benzotriazole-5-carboxamide
N-[(4-chlorophenyl)methyl]-1-ethyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-0426 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-1-ethyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 314.77 |
| Molecular Formula: | C16 H15 Cl N4 O |
| Smiles: | CCn1c2ccc(cc2nn1)C(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5965 |
| logD: | 2.5964 |
| logSw: | -3.5712 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.074 |
| InChI Key: | LBPBSIOWDZXJNP-UHFFFAOYSA-N |