N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-4-(4H-1,2,4-triazol-4-yl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-4-(4H-1,2,4-triazol-4-yl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-4-(4H-1,2,4-triazol-4-yl)benzamide
Compound characteristics
| Compound ID: | 8018-3148 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-4-(4H-1,2,4-triazol-4-yl)benzamide |
| Molecular Weight: | 356.77 |
| Molecular Formula: | C17 H13 Cl N4 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(cc1[Cl])n1cnnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4997 |
| logD: | 2.4997 |
| logSw: | -3.6446 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.799 |
| InChI Key: | NMUCGPGMZOFGMK-UHFFFAOYSA-N |