ethyl 2-(2-{[7-(4-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[7-(4-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamido)benzoate
ethyl 2-(2-{[7-(4-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F595-0307 |
| Compound Name: | ethyl 2-(2-{[7-(4-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 441.48 |
| Molecular Formula: | C21 H20 F N5 O3 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1nnc2N(CCn12)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6353 |
| logD: | 3.5897 |
| logSw: | -3.7786 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.928 |
| InChI Key: | ZVAYIWBVBFUNFX-UHFFFAOYSA-N |