N-[(4-fluorophenyl)methyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
N-[(4-fluorophenyl)methyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C138-0756 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C24 H20 F N3 O2 |
| Smiles: | COc1ccccc1Nc1c2ccccc2c(cn1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.909 |
| logD: | 4.4221 |
| logSw: | -4.6894 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.002 |
| InChI Key: | XCRCFTYWZSHOCU-UHFFFAOYSA-N |