N-{4-[4-(3-chlorophenyl)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-(3-chlorophenyl)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-(3-chlorophenyl)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: | C046-0191 |
| Compound Name: | N-{4-[4-(3-chlorophenyl)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: | 528.07 |
| Molecular Formula: | C26 H30 Cl N5 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(NCCCC(N3CCN(CC3)c3cccc(c3)[Cl])=O)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5965 |
| logD: | 2.5965 |
| logSw: | -3.8655 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.128 |
| InChI Key: | KDEMKTPYBLNDFO-UHFFFAOYSA-N |