2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-benzyl-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-benzyl-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-benzyl-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4333-3835 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-benzyl-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 539.68 |
| Molecular Formula: | C30 H25 N3 O3 S2 |
| Smiles: | C1CN(Cc2ccccc2)Cc2c1c1C(N(C(=Nc1s2)SCc1ccc2c(c1)OCO2)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7637 |
| logD: | 5.7627 |
| logSw: | -5.8771 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.572 |
| InChI Key: | FLYLELHAAMEQLU-UHFFFAOYSA-N |