7-acetyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3-[(oxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-acetyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3-[(oxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
7-acetyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3-[(oxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C200-3516 |
| Compound Name: | 7-acetyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3-[(oxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 469.62 |
| Molecular Formula: | C24 H27 N3 O3 S2 |
| Smiles: | CC(N1CCc2c3C(N(CC4CCCO4)C(=Nc3sc2C1)SCc1ccccc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8256 |
| logD: | 3.8256 |
| logSw: | -4.0243 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.377 |
| InChI Key: | GPDMLHYSHVPCSF-GOSISDBHSA-N |