2-{3-[(2-chlorophenyl)methyl]-8-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-{3-[(2-chlorophenyl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3-fluoro-4-methylphenyl)acetamide
2-{3-[(2-chlorophenyl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F394-0531 |
| Compound Name: | 2-{3-[(2-chlorophenyl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 488.95 |
| Molecular Formula: | C27 H22 Cl F N4 O2 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3[Cl])C=N1)=O)n2CC(Nc1ccc(C)c(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9949 |
| logD: | 5.9944 |
| logSw: | -6.0428 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.078 |
| InChI Key: | WJTKVRJDRDWSCE-UHFFFAOYSA-N |