ethyl ({4-benzyl-5-[(2-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-benzyl-5-[(2-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({4-benzyl-5-[(2-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | C244-0096 |
| Compound Name: | ethyl ({4-benzyl-5-[(2-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 428.48 |
| Molecular Formula: | C21 H21 F N4 O3 S |
| Smiles: | CCOC(CSc1nnc(CNC(c2ccccc2F)=O)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2916 |
| logD: | 3.2916 |
| logSw: | -3.7144 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.061 |
| InChI Key: | XKOIFZZLVAAZPZ-UHFFFAOYSA-N |