3-benzyl-5,8-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-benzyl-5,8-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-benzyl-5,8-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0610 |
| Compound Name: | 3-benzyl-5,8-dimethyl-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(Cc3ccccc3)C(N1Cc1cccc(c1)C(F)(F)F)=O)=O)n2C |
| Stereo: | ACHIRAL |
| logP: | 6.2707 |
| logD: | 6.2707 |
| logSw: | -5.7186 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.347 |
| InChI Key: | ZIYGZSSTCSPALL-UHFFFAOYSA-N |