2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(2,5-difluorophenyl)acetamide
Chemical Structure Depiction of
2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(2,5-difluorophenyl)acetamide
2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(2,5-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | F394-0416 |
| Compound Name: | 2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(2,5-difluorophenyl)acetamide |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C26 H20 F2 N4 O2 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3)C=N1)=O)n2CC(Nc1cc(ccc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.694 |
| logD: | 4.6679 |
| logSw: | -4.5038 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.38 |
| InChI Key: | GTTWPWUSFQDDNZ-UHFFFAOYSA-N |