8-methoxy-5-methyl-3-(4-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-(4-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
8-methoxy-5-methyl-3-(4-methylphenyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0746 |
| Compound Name: | 8-methoxy-5-methyl-3-(4-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: | Cc1ccc(cc1)N1C(c2c(c3cc(ccc3n2C)OC)N(Cc2cccc(c2)C(F)(F)F)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5429 |
| logD: | 5.5429 |
| logSw: | -5.6353 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.279 |
| InChI Key: | PVHANZORWYBNEQ-UHFFFAOYSA-N |