N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methylanilino)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methylanilino)-1H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methylanilino)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0097 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methylanilino)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 351.36 |
| Molecular Formula: | C18 H17 N5 O3 |
| Smiles: | Cc1ccc(cc1)Nc1c(C(NCc2ccc3c(c2)OCO3)=O)nn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.6314 |
| logD: | 2.5294 |
| logSw: | -3.0876 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.993 |
| InChI Key: | KNQCFSHKMMQQLO-UHFFFAOYSA-N |