3-(3-chlorophenyl)-5,8-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-5,8-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(3-chlorophenyl)-5,8-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0307 |
| Compound Name: | 3-(3-chlorophenyl)-5,8-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 497.9 |
| Molecular Formula: | C26 H19 Cl F3 N3 O2 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(C(N1Cc1cccc(c1)C(F)(F)F)=O)c1cccc(c1)[Cl])=O)n2C |
| Stereo: | ACHIRAL |
| logP: | 6.1887 |
| logD: | 6.1887 |
| logSw: | -6.2187 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.736 |
| InChI Key: | JDPHLWMHIFWSJT-UHFFFAOYSA-N |