6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4-benzylpiperazin-1-yl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4-benzylpiperazin-1-yl)pyrimidin-4(3H)-one
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4-benzylpiperazin-1-yl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-7552 |
| Compound Name: | 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4-benzylpiperazin-1-yl)pyrimidin-4(3H)-one |
| Molecular Weight: | 449.6 |
| Molecular Formula: | C23 H23 N5 O S2 |
| Smiles: | C1CN(CCN1Cc1ccccc1)C1NC(C=C(CSc2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0795 |
| logD: | 3.6638 |
| logSw: | -4.1539 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.713 |
| InChI Key: | FYKAKABJLFRECR-UHFFFAOYSA-N |