2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]acetamide
2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F394-0289 |
| Compound Name: | 2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 484.53 |
| Molecular Formula: | C28 H25 F N4 O3 |
| Smiles: | Cc1ccc(CNC(Cn2c3C(N(Cc4ccc(cc4)OC)C=Nc3c3cc(ccc23)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1208 |
| logD: | 4.1208 |
| logSw: | -4.2811 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.944 |
| InChI Key: | KPWCNZUOPFPKHW-UHFFFAOYSA-N |