2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3807-1615 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 449.39 |
| Molecular Formula: | C19 H17 Br N2 O2 S2 |
| Smiles: | CCN1C(=Nc2c(C1=O)c1CCCc1s2)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7446 |
| logD: | 4.7446 |
| logSw: | -4.6778 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.203 |
| InChI Key: | JOAPIJQRSZNJSE-UHFFFAOYSA-N |