N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethylanilino)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethylanilino)-1H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethylanilino)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0297 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethylanilino)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C19 H19 N5 O3 |
| Smiles: | Cc1ccc(cc1C)Nc1c(C(NCc2ccc3c(c2)OCO3)=O)nn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.1954 |
| logD: | 3.0968 |
| logSw: | -3.19 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.993 |
| InChI Key: | XPXQAYYYLIYIGI-UHFFFAOYSA-N |