N-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[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-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
N-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | C046-0238 |
| Compound Name: | N-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide |
| Molecular Weight: | 551.66 |
| Molecular Formula: | C28 H33 N5 O5 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(NCCCC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5651 |
| logD: | 1.2208 |
| logSw: | -2.5746 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.523 |
| InChI Key: | RTHUDVLNMQYLPF-UHFFFAOYSA-N |