3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-bromophenyl)-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-(4-bromophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0993 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 515.4 |
| Molecular Formula: | C22 H15 Br N2 O4 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2ccsc2C1=O)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.219 |
| logD: | 5.219 |
| logSw: | -5.5244 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.152 |
| InChI Key: | CSJALOOEDPORJH-UHFFFAOYSA-N |