4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]-N-[(pyridin-3-yl)methyl]butanamide
Chemical Structure Depiction of
4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]-N-[(pyridin-3-yl)methyl]butanamide
4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]-N-[(pyridin-3-yl)methyl]butanamide
Compound characteristics
| Compound ID: | C046-0220 |
| Compound Name: | 4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]-N-[(pyridin-3-yl)methyl]butanamide |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C22 H25 N5 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(NCCCC(NCc3cccnc3)=O)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4444 |
| logD: | 0.442 |
| logSw: | -1.6973 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.464 |
| InChI Key: | ORXBYVHLDIUPQE-UHFFFAOYSA-N |