2-{[(5,7-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(5,7-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(5,7-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | G751-1208 |
| Compound Name: | 2-{[(5,7-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C23 H23 N3 O2 S2 |
| Smiles: | Cc1cc(C)c2C(C=C(CSC3=Nc4c(C(N3C)=O)c3CCCCc3s4)Nc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0104 |
| logD: | 5.0025 |
| logSw: | -4.6787 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.426 |
| InChI Key: | XRORXDHFQQYMMT-UHFFFAOYSA-N |