N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}propanamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | G802-0076 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}propanamide |
| Molecular Weight: | 467.48 |
| Molecular Formula: | C22 H18 F N5 O4 S |
| Smiles: | CC(C(Nc1ccc2c(c1)OCCO2)=O)Sc1nnc2C(N(C=Cn12)c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2311 |
| logD: | 1.2311 |
| logSw: | -2.4099 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.888 |
| InChI Key: | IDJBPYRVVSRSNH-ZDUSSCGKSA-N |