2-{[(4-bromophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
2-{[(4-bromophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4333-3521 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 527.5 |
| Molecular Formula: | C25 H23 Br N2 O2 S2 |
| Smiles: | CCC1(C)Cc2c3C(N(C(=Nc3sc2CO1)SCc1ccc(cc1)[Br])c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3503 |
| logD: | 6.3503 |
| logSw: | -5.6034 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.874 |
| InChI Key: | JZMWPRYEQNJGEU-VWLOTQADSA-N |