4-fluoro-N-{1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
Chemical Structure Depiction of
4-fluoro-N-{1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
4-fluoro-N-{1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
Compound characteristics
| Compound ID: | D524-2204 |
| Compound Name: | 4-fluoro-N-{1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide |
| Molecular Weight: | 353.35 |
| Molecular Formula: | C18 H16 F N5 O2 |
| Smiles: | Cc1cccc(c1)NC(Cn1cnc(NC(c2ccc(cc2)F)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8617 |
| logD: | 2.162 |
| logSw: | -3.2017 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.701 |
| InChI Key: | CWXPQSXOKRAKIC-UHFFFAOYSA-N |