2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(2-methoxyphenyl)acetamide
2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F394-0286 |
| Compound Name: | 2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(2-methoxyphenyl)acetamide |
| Molecular Weight: | 486.5 |
| Molecular Formula: | C27 H23 F N4 O4 |
| Smiles: | COc1ccc(CN2C=Nc3c4cc(ccc4n(CC(Nc4ccccc4OC)=O)c3C2=O)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8728 |
| logD: | 3.8727 |
| logSw: | -4.1119 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.554 |
| InChI Key: | MHMOVRDNGSLRGG-UHFFFAOYSA-N |