6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4(3H)-one
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1622 |
| Compound Name: | 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4(3H)-one |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C22 H20 F N5 O S2 |
| Smiles: | C1CN(CCN1C1NC(C=C(CSc2nc3ccccc3s2)N=1)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.577 |
| logD: | 4.5504 |
| logSw: | -4.4062 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.132 |
| InChI Key: | GMVNPLOXBKNDBJ-UHFFFAOYSA-N |