8-methoxy-5-methyl-3-(2-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
8-methoxy-5-methyl-3-(2-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
8-methoxy-5-methyl-3-(2-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
Compound ID: | E737-1008 |
Compound Name: | 8-methoxy-5-methyl-3-(2-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
Molecular Weight: | 493.48 |
Molecular Formula: | C27 H22 F3 N3 O3 |
Smiles: | Cc1ccccc1N1C(c2c(c3cc(ccc3n2C)OC)N(Cc2cccc(c2)C(F)(F)F)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 5.6656 |
logD: | 5.6656 |
logSw: | -5.6519 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.979 |
InChI Key: | PZZQOWMDZIDPCW-UHFFFAOYSA-N |