2-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 1711-1439 |
| Compound Name: | 2-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 384.84 |
| Molecular Formula: | C19 H13 Cl N2 O3 S |
| Smiles: | C1CCc2c(C1)c1C(NC(C3=Cc4cc(ccc4OC3=O)[Cl])=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9301 |
| logD: | 3.2225 |
| logSw: | -4.9657 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.636 |
| InChI Key: | CDNFYFIHLFTJPJ-UHFFFAOYSA-N |