N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Compound characteristics
| Compound ID: | F394-0365 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 504.9 |
| Molecular Formula: | C26 H18 Cl F N4 O4 |
| Smiles: | C(c1ccccc1[Cl])N1C=Nc2c3cc(ccc3n(CC(Nc3ccc4c(c3)OCO4)=O)c2C1=O)F |
| Stereo: | ACHIRAL |
| logP: | 4.7889 |
| logD: | 4.7888 |
| logSw: | -5.0149 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.193 |
| InChI Key: | PSIWFPROWAEODJ-UHFFFAOYSA-N |