2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[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-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 8640-0373 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6,6-dimethyl-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 494.65 |
| Molecular Formula: | C25 H22 N2 O3 S3 |
| Smiles: | CC1(C)Cc2c3C(N(C(=Nc3sc2CS1)SCc1ccc2c(c1)OCO2)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.881 |
| logD: | 5.881 |
| logSw: | -5.5904 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.098 |
| InChI Key: | CFPJMDBZPLNLMM-UHFFFAOYSA-N |