N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | F796-0255 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide |
| Molecular Weight: | 424.43 |
| Molecular Formula: | C22 H21 F N4 O4 |
| Smiles: | COc1ccc(CCNC(CN2C=Nc3c4cc(ccc4[nH]c3C2=O)F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.067 |
| logD: | 1.067 |
| logSw: | -2.3307 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.871 |
| InChI Key: | MXDOXDXQKMBGTE-UHFFFAOYSA-N |