2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3,5-dimethylphenyl)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-(3,5-dimethylphenyl)acetamide
2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C200-6992 |
| Compound Name: | 2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 488.95 |
| Molecular Formula: | C27 H22 Cl F N4 O2 |
| Smiles: | Cc1cc(C)cc(c1)NC(Cn1c2C(N(Cc3ccccc3[Cl])C=Nc2c2cc(ccc12)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6487 |
| logD: | 5.6487 |
| logSw: | -5.8806 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.078 |
| InChI Key: | LQSLJWPVLIQTAU-UHFFFAOYSA-N |