N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | M031-0074 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C18 H16 N4 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(Cn2cncn2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4447 |
| logD: | 1.4447 |
| logSw: | -2.0423 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.744 |
| InChI Key: | ODNJVHCSQASTFI-UHFFFAOYSA-N |