N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D296-0048 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 354.34 |
| Molecular Formula: | C18 H15 F N4 O3 |
| Smiles: | C(C1COc2ccccc2O1)NC(c1cn(c2ccc(cc2)F)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.507 |
| logD: | 2.507 |
| logSw: | -2.6792 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.696 |
| InChI Key: | VCJPSYPMQRYKAA-AWEZNQCLSA-N |