N-(3-chloro-4-fluorophenyl)-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide
N-(3-chloro-4-fluorophenyl)-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide
Compound characteristics
| Compound ID: | C046-0156 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide |
| Molecular Weight: | 476.96 |
| Molecular Formula: | C22 H22 Cl F N4 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(NCCCC(Nc3ccc(c(c3)[Cl])F)=O)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.702 |
| logD: | 2.6868 |
| logSw: | -3.8342 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.624 |
| InChI Key: | NHNZLPONNIAGAF-UHFFFAOYSA-N |