3-[(4-methoxyphenyl)methyl]-8-methyl-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl]-8-methyl-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[(4-methoxyphenyl)methyl]-8-methyl-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F400-0543 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl]-8-methyl-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 477.49 |
| Molecular Formula: | C27 H22 F3 N3 O2 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccc(cc3)OC)C=N1)=O)n2Cc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.6787 |
| logD: | 5.6787 |
| logSw: | -5.7143 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.472 |
| InChI Key: | MAFJCMPBMFPMIL-UHFFFAOYSA-N |