2-{[4-amino-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-amino-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one
2-{[4-amino-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 5627-0058 |
| Compound Name: | 2-{[4-amino-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one |
| Molecular Weight: | 478.43 |
| Molecular Formula: | C20 H20 Br N3 O2 S2 |
| Smiles: | CC(C)C1Cc2c3c(N)nc(nc3sc2CO1)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.519 |
| logD: | 5.519 |
| logSw: | -5.6365 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.581 |
| InChI Key: | JGQGCONMAYIYTJ-OAHLLOKOSA-N |