2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1621 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C24 H23 N5 O3 S2 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C1NC(C=C(CSc2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9507 |
| logD: | 2.5423 |
| logSw: | -4.0475 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.829 |
| InChI Key: | LGNUGNGOXNFNBA-UHFFFAOYSA-N |