3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2,5-dimethylphenyl)methyl]-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2,5-dimethylphenyl)methyl]-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2,5-dimethylphenyl)methyl]-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F400-0424 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2,5-dimethylphenyl)methyl]-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C29 H28 F N3 O3 |
| Smiles: | Cc1ccc(C)c(Cn2c3C(N(CCc4ccc(c(c4)OC)OC)C=Nc3c3cc(ccc23)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7199 |
| logD: | 5.7199 |
| logSw: | -5.5266 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.168 |
| InChI Key: | BTLSPSRAZBYYDB-UHFFFAOYSA-N |