1-[(4-chlorobenzamido)methyl]-N-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
1-[(4-chlorobenzamido)methyl]-N-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
1-[(4-chlorobenzamido)methyl]-N-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | V028-0986 |
| Compound Name: | 1-[(4-chlorobenzamido)methyl]-N-(3-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 497.95 |
| Molecular Formula: | C26 H25 Cl F N3 O4 |
| Smiles: | COc1cc2CCN(C(CNC(c3ccc(cc3)[Cl])=O)c2cc1OC)C(Nc1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.088 |
| logD: | 4.088 |
| logSw: | -4.5927 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.58 |
| InChI Key: | UBLUKXYTVWRAEL-QFIPXVFZSA-N |