2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(1-phenyl-1H-tetrazol-5-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-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-7556 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 504.57 |
| Molecular Formula: | C24 H24 N8 O3 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C1NC(C=C(CSc2nnnn2c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5251 |
| logD: | 1.1167 |
| logSw: | -2.9299 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.669 |
| InChI Key: | YVAZYTKADZFLCC-UHFFFAOYSA-N |