3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F400-0175 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 507.51 |
| Molecular Formula: | C28 H24 F3 N3 O3 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(CCc3ccc(c(c3)OC)OC)C=N1)=O)n2Cc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.1126 |
| logD: | 5.1126 |
| logSw: | -5.4516 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.168 |
| InChI Key: | LPIFWRDNQBYLOI-UHFFFAOYSA-N |