3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-ethenylphenyl)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-{[(4-ethenylphenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-ethenylphenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0335 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-ethenylphenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 485.58 |
| Molecular Formula: | C26 H19 N3 O3 S2 |
| Smiles: | C=Cc1ccc(CSC2=Nc3c4cccnc4sc3C(N2Cc2ccc3c(c2)OCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4421 |
| logD: | 5.4421 |
| logSw: | -6.1051 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.787 |
| InChI Key: | WBQMNXFUEJNYFK-UHFFFAOYSA-N |