2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6,6-dimethyl-3-(2-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6,6-dimethyl-3-(2-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6,6-dimethyl-3-(2-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5218-2260 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6,6-dimethyl-3-(2-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C26 H24 N2 O4 S2 |
| Smiles: | Cc1ccccc1N1C(=Nc2c(C1=O)c1CC(C)(C)OCc1s2)SCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.7673 |
| logD: | 5.7673 |
| logSw: | -5.5694 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.494 |
| InChI Key: | RCRRLKWTWZODFH-UHFFFAOYSA-N |