7-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-2-(2-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-2-(2-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-2-(2-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0547 |
| Compound Name: | 7-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-2-(2-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 493.52 |
| Molecular Formula: | C24 H20 F N5 O4 S |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1ccccc1F)=N2)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0705 |
| logD: | 2.0668 |
| logSw: | -3.074 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.575 |
| InChI Key: | OCBDPFCZHWNBFR-UHFFFAOYSA-N |