6,6-dimethyl-3-(3-methylphenyl)-2-{[1-(morpholin-4-yl)-1-oxopropan-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-(morpholin-4-yl)-1-oxopropan-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-(morpholin-4-yl)-1-oxopropan-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: | 8640-0409 |
| Compound Name: | 6,6-dimethyl-3-(3-methylphenyl)-2-{[1-(morpholin-4-yl)-1-oxopropan-2-yl]sulfanyl}-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C25 H29 N3 O4 S2 |
| Smiles: | CC(C(N1CCOCC1)=O)SC1=Nc2c(C(N1c1cccc(C)c1)=O)c1CC(C)(C)OCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0466 |
| logD: | 4.0466 |
| logSw: | -4.2829 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.508 |
| InChI Key: | VERULAPYMKPWFF-INIZCTEOSA-N |