2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5627-0084 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 519.48 |
| Molecular Formula: | C23 H23 Br N2 O3 S2 |
| Smiles: | CC(C)C1Cc2c3C(N(CC=C)C(=Nc3sc2CO1)SCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6581 |
| logD: | 5.6581 |
| logSw: | -5.5388 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.443 |
| InChI Key: | XCBBPKRDTLDPEQ-GOSISDBHSA-N |