3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-1116 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 505.4 |
| Molecular Formula: | C22 H14 Cl2 N2 O4 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2ccsc2C1=O)SCC(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9043 |
| logD: | 5.9043 |
| logSw: | -6.2567 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.152 |
| InChI Key: | POOOTKLSPKUYMY-UHFFFAOYSA-N |