N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrido[2,1-a]isoquinolin-4-ylidene)-2-fluorobenzamide
Chemical Structure Depiction of
N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrido[2,1-a]isoquinolin-4-ylidene)-2-fluorobenzamide
N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrido[2,1-a]isoquinolin-4-ylidene)-2-fluorobenzamide
Compound characteristics
Compound ID: | 6212-0004 |
Compound Name: | N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrido[2,1-a]isoquinolin-4-ylidene)-2-fluorobenzamide |
Molecular Weight: | 405.43 |
Molecular Formula: | C23 H20 F N3 O3 |
Smiles: | COc1cc2CCN3C(=C(CC\C3=N/C(c3ccccc3F)=O)C#N)c2cc1OC |
Stereo: | ACHIRAL |
logP: | 3.3449 |
logD: | 2.633 |
logSw: | -3.6635 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 57.87 |
InChI Key: | LLDUJEDKADZDRF-UHFFFAOYSA-N |