5,8-dimethyl-3-(2-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
5,8-dimethyl-3-(2-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
5,8-dimethyl-3-(2-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0380 |
| Compound Name: | 5,8-dimethyl-3-(2-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 477.49 |
| Molecular Formula: | C27 H22 F3 N3 O2 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(C(N1Cc1cccc(c1)C(F)(F)F)=O)c1ccccc1C)=O)n2C |
| Stereo: | ACHIRAL |
| logP: | 6.0953 |
| logD: | 6.0953 |
| logSw: | -5.7178 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.435 |
| InChI Key: | ZIQWXBXMHUPSCR-UHFFFAOYSA-N |