2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(oxolan-2-yl)methyl]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-[(oxolan-2-yl)methyl]acetamide
2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C200-7078 |
| Compound Name: | 2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 468.91 |
| Molecular Formula: | C24 H22 Cl F N4 O3 |
| Smiles: | C1CC(CNC(Cn2c3C(N(Cc4ccccc4[Cl])C=Nc3c3cc(ccc23)F)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.989 |
| logD: | 2.989 |
| logSw: | -3.3511 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.054 |
| InChI Key: | OIUUJXCZVNZJKS-QGZVFWFLSA-N |