3-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F400-0437 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 540.59 |
| Molecular Formula: | C31 H29 F N4 O4 |
| Smiles: | COc1ccc(CCN2C=Nc3c4cc(ccc4n(Cc4ccc(cc4)N4CCCC4=O)c3C2=O)F)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3229 |
| logD: | 4.3229 |
| logSw: | -4.4332 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.984 |
| InChI Key: | CGFHZCDKPRCPMD-UHFFFAOYSA-N |