N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0447 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 367.36 |
| Molecular Formula: | C18 H17 N5 O4 |
| Smiles: | COc1cccc(c1)Nc1c(C(NCc2ccc3c(c2)OCO3)=O)nn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.2744 |
| logD: | 2.1725 |
| logSw: | -2.9742 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.537 |
| InChI Key: | XJTGWXUSOIXEEV-UHFFFAOYSA-N |