N-[(3,4-diethoxyphenyl)methyl]-3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Chemical Structure Depiction of
N-[(3,4-diethoxyphenyl)methyl]-3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
N-[(3,4-diethoxyphenyl)methyl]-3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Compound characteristics
| Compound ID: | C200-7777 |
| Compound Name: | N-[(3,4-diethoxyphenyl)methyl]-3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide |
| Molecular Weight: | 452.48 |
| Molecular Formula: | C24 H25 F N4 O4 |
| Smiles: | CCOc1ccc(CNC(CCN2C=Nc3c4cc(ccc4[nH]c3C2=O)F)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.053 |
| logD: | 2.053 |
| logSw: | -2.7553 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.168 |
| InChI Key: | DYUPRMGXCBIOPP-UHFFFAOYSA-N |