2-{4-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione
2-{4-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3993-1739 |
| Compound Name: | 2-{4-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 515.65 |
| Molecular Formula: | C28 H25 N3 O3 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCCCCN1C(c2ccccc2C1=O)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4867 |
| logD: | 5.4867 |
| logSw: | -5.6521 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.485 |
| InChI Key: | HQWBZLJHXBWREB-UHFFFAOYSA-N |