N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-1H-benzotriazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-0075 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 310.31 |
| Molecular Formula: | C16 H14 N4 O3 |
| Smiles: | Cn1c2ccc(cc2nn1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.553 |
| logD: | 1.553 |
| logSw: | -2.2373 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.751 |
| InChI Key: | RLQPVEDWYOETCG-UHFFFAOYSA-N |