5-[(3,5-difluorophenyl)methyl]-8-fluoro-3-[(3-methoxyphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
5-[(3,5-difluorophenyl)methyl]-8-fluoro-3-[(3-methoxyphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
5-[(3,5-difluorophenyl)methyl]-8-fluoro-3-[(3-methoxyphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C200-8929 |
| Compound Name: | 5-[(3,5-difluorophenyl)methyl]-8-fluoro-3-[(3-methoxyphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 449.43 |
| Molecular Formula: | C25 H18 F3 N3 O2 |
| Smiles: | COc1cccc(CN2C=Nc3c4cc(ccc4n(Cc4cc(cc(c4)F)F)c3C2=O)F)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0183 |
| logD: | 5.0183 |
| logSw: | -4.9806 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.472 |
| InChI Key: | MGEIQXMIAXRKQU-UHFFFAOYSA-N |