5,8-dimethyl-3-(3-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-(3-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
5,8-dimethyl-3-(3-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0214 |
| Compound Name: | 5,8-dimethyl-3-(3-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: | Cc1cccc(c1)N1C(c2c(c3cc(C)ccc3n2C)N(Cc2cccc(c2)C(F)(F)F)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0476 |
| logD: | 6.0476 |
| logSw: | -5.6668 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.736 |
| InChI Key: | OYIPYYIXRKISHG-UHFFFAOYSA-N |