N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-fluoroanilino)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-fluoroanilino)-1H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-fluoroanilino)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0981 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-fluoroanilino)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 355.33 |
| Molecular Formula: | C17 H14 F N5 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1c(Nc2ccc(cc2)F)[nH]nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.237 |
| logD: | 2.1351 |
| logSw: | -3.028 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.993 |
| InChI Key: | QPGGGTXZLRYGPC-UHFFFAOYSA-N |