2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | F394-0258 |
| Compound Name: | 2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 484.49 |
| Molecular Formula: | C27 H21 F N4 O4 |
| Smiles: | C(c1ccccc1)N1C=Nc2c3cc(ccc3n(CC(Nc3ccc4c(c3)OCCO4)=O)c2C1=O)F |
| Stereo: | ACHIRAL |
| logP: | 3.1099 |
| logD: | 3.1098 |
| logSw: | -3.1888 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.901 |
| InChI Key: | WUYLVVHVDDHQFO-UHFFFAOYSA-N |