N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Compound characteristics
| Compound ID: | Y502-3351 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| Molecular Weight: | 388.78 |
| Molecular Formula: | C18 H14 Cl F N4 O3 |
| Smiles: | C(c1c(cccc1[Cl])F)n1cnc(NC(c2ccc3c(c2)OCCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4093 |
| logD: | 2.3923 |
| logSw: | -3.3805 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.374 |
| InChI Key: | HEDHNFFIAXQPSM-UHFFFAOYSA-N |