2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3-fluoro-4-methylphenyl)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-(3-fluoro-4-methylphenyl)acetamide
2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F394-0297 |
| Compound Name: | 2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 488.49 |
| Molecular Formula: | C27 H22 F2 N4 O3 |
| Smiles: | Cc1ccc(cc1F)NC(Cn1c2C(N(Cc3ccc(cc3)OC)C=Nc2c2cc(ccc12)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7695 |
| logD: | 4.769 |
| logSw: | -4.7103 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.621 |
| InChI Key: | IZFDIFAPWGHNKU-UHFFFAOYSA-N |