3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-propoxyphenyl)methyl]propanamide
Chemical Structure Depiction of
3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-propoxyphenyl)methyl]propanamide
3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-propoxyphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | C200-7775 |
| Compound Name: | 3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-propoxyphenyl)methyl]propanamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C23 H23 F N4 O3 |
| Smiles: | CCCOc1ccc(CNC(CCN2C=Nc3c4cc(ccc4[nH]c3C2=O)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9062 |
| logD: | 2.9062 |
| logSw: | -3.2559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.165 |
| InChI Key: | VSYIUKHTZNDLII-UHFFFAOYSA-N |