6,6-dimethyl-3-(3-methylphenyl)-2-{[1-oxo-1-(piperidin-1-yl)propan-2-yl]sulfanyl}-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
6,6-dimethyl-3-(3-methylphenyl)-2-{[1-oxo-1-(piperidin-1-yl)propan-2-yl]sulfanyl}-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
6,6-dimethyl-3-(3-methylphenyl)-2-{[1-oxo-1-(piperidin-1-yl)propan-2-yl]sulfanyl}-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 8640-0408 |
| Compound Name: | 6,6-dimethyl-3-(3-methylphenyl)-2-{[1-oxo-1-(piperidin-1-yl)propan-2-yl]sulfanyl}-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 497.68 |
| Molecular Formula: | C26 H31 N3 O3 S2 |
| Smiles: | CC(C(N1CCCCC1)=O)SC1=Nc2c(C(N1c1cccc(C)c1)=O)c1CC(C)(C)OCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2053 |
| logD: | 5.2053 |
| logSw: | -4.9914 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.599 |
| InChI Key: | FKCXSLMFXIXPTB-KRWDZBQOSA-N |