N-{1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
N-{1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | D524-2207 |
| Compound Name: | N-{1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-fluorobenzamide |
| Molecular Weight: | 418.22 |
| Molecular Formula: | C17 H13 Br F N5 O2 |
| Smiles: | C(C(Nc1ccc(cc1)[Br])=O)n1cnc(NC(c2ccc(cc2)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3357 |
| logD: | 2.6359 |
| logSw: | -3.6263 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.701 |
| InChI Key: | FVVYCMXDWRVYIX-UHFFFAOYSA-N |