2-{[2-([1,1'-biphenyl]-4-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[2-([1,1'-biphenyl]-4-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{[2-([1,1'-biphenyl]-4-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4112-0749 |
| Compound Name: | 2-{[2-([1,1'-biphenyl]-4-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C26 H22 N2 O2 S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c1CCCc1s2)SCC(c1ccc(cc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8154 |
| logD: | 5.8154 |
| logSw: | -6.107 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.185 |
| InChI Key: | AKVGXHNXSDUIIN-UHFFFAOYSA-N |