N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-fluoro-4-methylbenzamide
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-fluoro-4-methylbenzamide
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-fluoro-4-methylbenzamide
Compound characteristics
| Compound ID: | G717-5116 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-fluoro-4-methylbenzamide |
| Molecular Weight: | 368.37 |
| Molecular Formula: | C19 H17 F N4 O3 |
| Smiles: | Cc1ccc(cc1F)C(NCCc1nc(c2ccc3c(c2)OCO3)[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2448 |
| logD: | 3.2328 |
| logSw: | -3.3583 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.384 |
| InChI Key: | ZESGIYBJBUMVQZ-UHFFFAOYSA-N |