2-[4-(diethylamino)benzamido]-N-(3-fluoro-4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-[4-(diethylamino)benzamido]-N-(3-fluoro-4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
2-[4-(diethylamino)benzamido]-N-(3-fluoro-4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C125-1121 |
| Compound Name: | 2-[4-(diethylamino)benzamido]-N-(3-fluoro-4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C28 H27 F N4 O3 |
| Smiles: | CCN(CC)c1ccc(cc1)C(NN1C=C(C(Nc2ccc(C)c(c2)F)=O)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.423 |
| logD: | 4.3305 |
| logSw: | -4.2954 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.888 |
| InChI Key: | UNTAFDZSZJWDQD-UHFFFAOYSA-N |