3,7-dimethyl-2-{[(3-methylquinoxalin-2-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3,7-dimethyl-2-{[(3-methylquinoxalin-2-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3,7-dimethyl-2-{[(3-methylquinoxalin-2-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8015-0269 |
| Compound Name: | 3,7-dimethyl-2-{[(3-methylquinoxalin-2-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C22 H22 N4 O S2 |
| Smiles: | CC1CCc2c3C(N(C)C(=Nc3sc2C1)SCc1c(C)nc2ccccc2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8021 |
| logD: | 4.8021 |
| logSw: | -4.7362 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.407 |
| InChI Key: | RGJAFDUJEYIZDO-GFCCVEGCSA-N |