N-[(4-chlorophenyl)methyl]-1-propyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-1-propyl-1H-benzotriazole-5-carboxamide
N-[(4-chlorophenyl)methyl]-1-propyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-1996 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-1-propyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 328.8 |
| Molecular Formula: | C17 H17 Cl N4 O |
| Smiles: | CCCn1c2ccc(cc2nn1)C(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1772 |
| logD: | 3.1771 |
| logSw: | -3.697 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.328 |
| InChI Key: | JVOKFZHRPIJQCY-UHFFFAOYSA-N |