N-(3,5-dimethoxyphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
N-(3,5-dimethoxyphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | G802-0082 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C23 H22 F N5 O4 S |
| Smiles: | CCC(C(Nc1cc(cc(c1)OC)OC)=O)Sc1nnc2C(N(C=Cn12)c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9147 |
| logD: | 2.9143 |
| logSw: | -3.4433 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.152 |
| InChI Key: | VCYRQLXGTAWJAH-IBGZPJMESA-N |