2-[4-(2-fluorophenyl)piperazin-1-yl]-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1625 |
| Compound Name: | 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C22 H21 F N8 O S |
| Smiles: | C1CN(CCN1C1NC(C=C(CSc2nnnn2c2ccccc2)N=1)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 3.1514 |
| logD: | 3.1247 |
| logSw: | -3.4328 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.973 |
| InChI Key: | KCVUIIYKVSLLFH-UHFFFAOYSA-N |