3-benzyl-2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-benzyl-2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3-benzyl-2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3807-1646 |
| Compound Name: | 3-benzyl-2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 531.52 |
| Molecular Formula: | C26 H24 Cl2 N2 O2 S2 |
| Smiles: | CCC1(C)Cc2c3C(N(Cc4ccccc4)C(=Nc3sc2CO1)SCc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7061 |
| logD: | 7.7061 |
| logSw: | -6.5786 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.485 |
| InChI Key: | BWLSOSSTHDYSFV-SANMLTNESA-N |