N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-bromobenzamide
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-bromobenzamide
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-bromobenzamide
Compound characteristics
| Compound ID: | G717-5119 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-bromobenzamide |
| Molecular Weight: | 415.24 |
| Molecular Formula: | C18 H15 Br N4 O3 |
| Smiles: | C(CNC(c1cccc(c1)[Br])=O)c1nc(c2ccc3c(c2)OCO3)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4241 |
| logD: | 3.4121 |
| logSw: | -3.7398 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.384 |
| InChI Key: | RGAFOTIDVJMVQP-UHFFFAOYSA-N |