2-(3-fluorophenyl)-7-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(3-fluorophenyl)-7-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(3-fluorophenyl)-7-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0339 |
| Compound Name: | 2-(3-fluorophenyl)-7-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 499.58 |
| Molecular Formula: | C23 H22 F N5 O3 S2 |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1cccc(c1)F)=N2)=O)S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2783 |
| logD: | 2.277 |
| logSw: | -2.7644 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.416 |
| InChI Key: | WAGVWMJGZHABDC-UHFFFAOYSA-N |