N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
Compound characteristics
| Compound ID: | P496-1617 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C20 H20 N4 O3 |
| Smiles: | Cc1cccc(Cc2nc(CC(Nc3ccc4c(c3)OCCO4)=O)[nH]n2)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5672 |
| logD: | 2.5646 |
| logSw: | -2.9033 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.705 |
| InChI Key: | BXBOBFSGDPYBDN-UHFFFAOYSA-N |