ethyl 4-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 4-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
ethyl 4-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V006-3628 |
| Compound Name: | ethyl 4-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C20 H20 F N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(CCCSc1nnc(c2ccccc2F)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0769 |
| logD: | 4.0769 |
| logSw: | -4.1914 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.143 |
| InChI Key: | VAYWIKCZBMNBRD-UHFFFAOYSA-N |