2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3-chloro-4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3-chloro-4-fluorophenyl)acetamide
2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | F394-0235 |
| Compound Name: | 2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 478.88 |
| Molecular Formula: | C25 H17 Cl F2 N4 O2 |
| Smiles: | C(c1ccccc1)N1C=Nc2c3cc(ccc3n(CC(Nc3ccc(c(c3)[Cl])F)=O)c2C1=O)F |
| Stereo: | ACHIRAL |
| logP: | 4.8675 |
| logD: | 4.8461 |
| logSw: | -5.071 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.078 |
| InChI Key: | HXFJTGUKEWXCBZ-UHFFFAOYSA-N |