3-benzyl-8-fluoro-5-[(3-methoxyphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-benzyl-8-fluoro-5-[(3-methoxyphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-benzyl-8-fluoro-5-[(3-methoxyphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F400-0274 |
| Compound Name: | 3-benzyl-8-fluoro-5-[(3-methoxyphenyl)methyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C25 H20 F N3 O2 |
| Smiles: | COc1cccc(Cn2c3C(N(Cc4ccccc4)C=Nc3c3cc(ccc23)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6055 |
| logD: | 4.6055 |
| logSw: | -4.5525 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.472 |
| InChI Key: | KQJIVRFXBNIZEI-UHFFFAOYSA-N |