3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0695 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 520.63 |
| Molecular Formula: | C26 H24 N4 O4 S2 |
| Smiles: | C1CN(CCN1C(CSC1=Nc2ccsc2C(N1Cc1ccc2c(c1)OCO2)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.156 |
| logD: | 4.156 |
| logSw: | -4.2831 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.558 |
| InChI Key: | LUHBPFJYYBUNRV-UHFFFAOYSA-N |