7-acetyl-2-{[(2,5-dimethylphenyl)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-{[(2,5-dimethylphenyl)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-{[(2,5-dimethylphenyl)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: | C200-3517 |
| Compound Name: | 7-acetyl-2-{[(2,5-dimethylphenyl)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: | 483.65 |
| Molecular Formula: | C25 H29 N3 O3 S2 |
| Smiles: | CC(N1CCc2c3C(N(CC4CCCO4)C(=Nc3sc2C1)SCc1cc(C)ccc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.253 |
| logD: | 4.253 |
| logSw: | -4.3749 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.377 |
| InChI Key: | UXYKDLCEHPIYGH-LJQANCHMSA-N |