N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-methylphenyl)methyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-methylphenyl)methyl]-1H-benzotriazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-methylphenyl)methyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L455-0607 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-methylphenyl)methyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 400.44 |
| Molecular Formula: | C23 H20 N4 O3 |
| Smiles: | Cc1ccc(Cn2c3ccc(cc3nn2)C(NCc2ccc3c(c2)OCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3993 |
| logD: | 3.3993 |
| logSw: | -3.5078 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.193 |
| InChI Key: | JCDUFPMLGHGQFW-UHFFFAOYSA-N |