N-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Chemical Structure Depiction of
N-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
N-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | C060-0100 |
| Compound Name: | N-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide |
| Molecular Weight: | 525.63 |
| Molecular Formula: | C26 H31 N5 O5 S |
| Smiles: | Cc1c2C(N(CC(NCCCC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)=O)C=Nc2sc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1075 |
| logD: | 0.7632 |
| logSw: | -2.5044 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.603 |
| InChI Key: | LGQLNVFRCNCWRA-UHFFFAOYSA-N |