2-{[(4-bromophenyl)methyl]sulfanyl}-3-cyclohexyl-6,6-dimethyl-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}-3-cyclohexyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
2-{[(4-bromophenyl)methyl]sulfanyl}-3-cyclohexyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3807-2030 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-3-cyclohexyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 519.52 |
| Molecular Formula: | C24 H27 Br N2 O2 S2 |
| Smiles: | CC1(C)Cc2c3C(N(C4CCCCC4)C(=Nc3sc2CO1)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.532 |
| logD: | 6.532 |
| logSw: | -5.6356 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.513 |
| InChI Key: | GWYKBUYGXWCMGR-UHFFFAOYSA-N |