2-{1-[2-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-oxoethyl]cyclohexyl}-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-{1-[2-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-oxoethyl]cyclohexyl}-2,3-dihydro-1H-isoindol-1-one
2-{1-[2-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-oxoethyl]cyclohexyl}-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | D750-0111 |
| Compound Name: | 2-{1-[2-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-oxoethyl]cyclohexyl}-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C27 H28 F N3 O2 |
| Smiles: | C1CCC(CC1)(CC(N1CCc2c(C1)c1cc(ccc1[nH]2)F)=O)N1Cc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.9519 |
| logD: | 3.9519 |
| logSw: | -4.1543 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.853 |
| InChI Key: | KXWAUAVRTHVXEY-UHFFFAOYSA-N |