3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 2969-0195 |
| Compound Name: | 3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 511.46 |
| Molecular Formula: | C24 H19 Br N2 O2 S2 |
| Smiles: | C1Cc2c3C(N(Cc4ccccc4)C(=Nc3sc2C1)SCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0466 |
| logD: | 6.0466 |
| logSw: | -5.9561 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.207 |
| InChI Key: | IBZZEVTVIBWEAH-UHFFFAOYSA-N |