1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]ethan-1-one
1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 7790-0835 |
| Compound Name: | 1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 476.64 |
| Molecular Formula: | C27 H32 N4 O2 S |
| Smiles: | Cc1cc(nc(n1)SCC(N1CCn2c3C1CCCc3c1cc(ccc12)C1CCCCC1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.238 |
| logD: | 6.0808 |
| logSw: | -5.1694 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.085 |
| InChI Key: | KZRWIIUXLOWXEP-QHCPKHFHSA-N |