N-butyl-N-ethyl-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-butyl-N-ethyl-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-butyl-N-ethyl-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-0778 |
| Compound Name: | N-butyl-N-ethyl-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C25 H31 F N2 O3 |
| Smiles: | CCCCN(CC)C(C1C(c2ccc(cc2)F)N(CCOC)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1578 |
| logD: | 4.1578 |
| logSw: | -4.1002 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.429 |
| InChI Key: | VSRHOCJZRKDPLT-UHFFFAOYSA-N |