6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4(3H)-one
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1620 |
| Compound Name: | 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4(3H)-one |
| Molecular Weight: | 465.6 |
| Molecular Formula: | C23 H23 N5 O2 S2 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C1NC(C=C(CSc2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5024 |
| logD: | 4.4736 |
| logSw: | -4.2172 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.977 |
| InChI Key: | SPEPPHHQDRLFMM-UHFFFAOYSA-N |