N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-propyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-propyl-1H-benzotriazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-propyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-2038 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-propyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C18 H18 N4 O3 |
| Smiles: | CCCn1c2ccc(cc2nn1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4956 |
| logD: | 2.4956 |
| logSw: | -2.9082 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.443 |
| InChI Key: | DMVNJVPKQCTKFW-UHFFFAOYSA-N |