N-(2H-1,3-benzodioxol-5-yl)-4-{[2-(2-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-{[2-(2-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-4-{[2-(2-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1365 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-{[2-(2-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 508.53 |
| Molecular Formula: | C24 H21 F N6 O4 S |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1ccccc1F)=N2)=O)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4255 |
| logD: | 2.341 |
| logSw: | -3.1967 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.396 |
| InChI Key: | DZQJMRGHUNYXTH-UHFFFAOYSA-N |