N-{4-[4-(4-fluorophenyl)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-(4-fluorophenyl)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-(4-fluorophenyl)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: | C046-0236 |
Compound Name: | N-{4-[4-(4-fluorophenyl)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: | 511.62 |
Molecular Formula: | C26 H30 F N5 O3 S |
Smiles: | C1CCc2c(C1)c1C(N(CC(NCCCC(N3CCN(CC3)c3ccc(cc3)F)=O)=O)C=Nc1s2)=O |
Stereo: | ACHIRAL |
logP: | 2.1635 |
logD: | 2.1635 |
logSw: | -2.8156 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.128 |
InChI Key: | UAVOXBUWNTUNNK-UHFFFAOYSA-N |