3-(5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-oxopentyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-oxopentyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-(5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-oxopentyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0086 |
| Compound Name: | 3-(5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-oxopentyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C23 H26 N4 O5 S |
| Smiles: | C(CCN1C(c2c(ccs2)NC1=O)=O)CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0712 |
| logD: | 1.7269 |
| logSw: | -2.944 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.525 |
| InChI Key: | FYOOLHQRAKYPAN-UHFFFAOYSA-N |