4-[2-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
4-[2-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-phenylethyl)butanamide
4-[2-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | K292-1310 |
| Compound Name: | 4-[2-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 547.65 |
| Molecular Formula: | C28 H25 N3 O5 S2 |
| Smiles: | C(CC(NCCc1ccccc1)=O)CN1C(=Nc2ccsc2C1=O)SCC1=CC(=O)Oc2cc(ccc12)O |
| Stereo: | ACHIRAL |
| logP: | 2.8839 |
| logD: | 2.8547 |
| logSw: | -3.6326 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.105 |
| InChI Key: | LHWXRPODLBHIBB-UHFFFAOYSA-N |