3-[(2-methylphenyl)methyl]-2-(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
3-[(2-methylphenyl)methyl]-2-(2-oxo-2H-1-benzopyran-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-[(2-methylphenyl)methyl]-2-(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: | C200-3194 |
| Compound Name: | 3-[(2-methylphenyl)methyl]-2-(2-oxo-2H-1-benzopyran-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C27 H22 N2 O3 S |
| Smiles: | Cc1ccccc1CN1C(C2=Cc3ccccc3OC2=O)=Nc2c(C1=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 5.8379 |
| logD: | 5.8379 |
| logSw: | -5.6203 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.094 |
| InChI Key: | HDEUTTZRZYDVAE-UHFFFAOYSA-N |