3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0317 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C25 H19 N3 O3 S2 |
| Smiles: | Cc1ccccc1CSC1=Nc2c3cccnc3sc2C(N1Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9254 |
| logD: | 5.9254 |
| logSw: | -5.6272 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.787 |
| InChI Key: | GRYPHIGYRJGMGF-UHFFFAOYSA-N |