N-[4-(4-benzylpiperazin-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-benzylpiperazin-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-benzylpiperazin-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: | C046-0227 |
| Compound Name: | N-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide |
| Molecular Weight: | 507.65 |
| Molecular Formula: | C27 H33 N5 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(NCCCC(N3CCN(CC3)Cc3ccccc3)=O)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6939 |
| logD: | 1.6609 |
| logSw: | -2.2991 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.408 |
| InChI Key: | NXKOTYJRQWWPKK-UHFFFAOYSA-N |