3-(4-bromophenyl)-2-[(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-(4-bromophenyl)-2-[(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
3-(4-bromophenyl)-2-[(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K843-0038 |
| Compound Name: | 3-(4-bromophenyl)-2-[(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 523.47 |
| Molecular Formula: | C25 H19 Br N2 O2 S2 |
| Smiles: | C1Cc2c3C(N(C(=Nc3sc2C1)SC1CCc2ccccc2C1=O)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3333 |
| logD: | 6.3333 |
| logSw: | -5.8652 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.416 |
| InChI Key: | OEXNYZCGMXXYDW-FQEVSTJZSA-N |