N-(2-chloro-4-methylphenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
N-(2-chloro-4-methylphenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
Compound ID: | F058-0891 |
Compound Name: | N-(2-chloro-4-methylphenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
Molecular Weight: | 328.8 |
Molecular Formula: | C17 H17 Cl N4 O |
Smiles: | CC(C)n1c2ccc(cc2nn1)C(Nc1ccc(C)cc1[Cl])=O |
Stereo: | ACHIRAL |
logP: | 3.8645 |
logD: | 3.8564 |
logSw: | -4.2796 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.798 |
InChI Key: | WLPBCUHHFLBFQF-UHFFFAOYSA-N |