3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5627-0014 |
| Compound Name: | 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 569.54 |
| Molecular Formula: | C27 H25 Br N2 O3 S2 |
| Smiles: | CC(C)C1Cc2c3C(N(Cc4ccccc4)C(=Nc3sc2CO1)SCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7743 |
| logD: | 6.7743 |
| logSw: | -5.7714 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.193 |
| InChI Key: | XVOHYYGUIDWRTH-JOCHJYFZSA-N |