8-methyl-3-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methyl-3-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
8-methyl-3-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F400-0658 |
| Compound Name: | 8-methyl-3-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C27 H22 F3 N3 O |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(CCc3ccccc3)C=N1)=O)n2Cc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.1652 |
| logD: | 6.1652 |
| logSw: | -5.7569 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9068 |
| InChI Key: | CXECXRFHODRMGD-UHFFFAOYSA-N |