2-{3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-{3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-{3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | P496-2235 |
| Compound Name: | 2-{3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 384.82 |
| Molecular Formula: | C19 H17 Cl N4 O3 |
| Smiles: | C(c1ccc(cc1)[Cl])c1nc(CC(Nc2ccc3c(c2)OCCO3)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4698 |
| logD: | 2.4672 |
| logSw: | -3.4331 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.705 |
| InChI Key: | IIJRSFOEAQPKIH-UHFFFAOYSA-N |