N-(2H-1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-1H-benzotriazole-5-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
Compound ID: | L455-0647 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-1H-benzotriazole-5-carboxamide |
Molecular Weight: | 386.41 |
Molecular Formula: | C22 H18 N4 O3 |
Smiles: | Cc1ccc(Cn2c3ccc(cc3nn2)C(Nc2ccc3c(c2)OCO3)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.6534 |
logD: | 3.6518 |
logSw: | -3.826 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.871 |
InChI Key: | KWLOGXWSTNDOKD-UHFFFAOYSA-N |