2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3-fluorophenyl)acetamide
2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | F394-0367 |
| Compound Name: | 2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 478.88 |
| Molecular Formula: | C25 H17 Cl F2 N4 O2 |
| Smiles: | C(c1ccccc1[Cl])N1C=Nc2c3cc(ccc3n(CC(Nc3cccc(c3)F)=O)c2C1=O)F |
| Stereo: | ACHIRAL |
| logP: | 5.1091 |
| logD: | 5.1088 |
| logSw: | -5.6225 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.078 |
| InChI Key: | BLQCNMBXYWSYFR-UHFFFAOYSA-N |