N-(2H-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-1H-benzotriazole-5-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L455-0091 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C22 H18 N4 O4 |
| Smiles: | COc1ccc(Cn2c3ccc(cc3nn2)C(Nc2ccc3c(c2)OCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2124 |
| logD: | 3.2108 |
| logSw: | -3.4648 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.415 |
| InChI Key: | DPTPMEUIQUIHPJ-UHFFFAOYSA-N |