ethyl 1-[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]piperidine-4-carboxylate
ethyl 1-[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]piperidine-4-carboxylate
Compound characteristics
Compound ID: | E456-0709 |
Compound Name: | ethyl 1-[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]piperidine-4-carboxylate |
Molecular Weight: | 468.61 |
Molecular Formula: | C26 H32 N2 O4 S |
Smiles: | CCOC(C1CCN(CC1)C(C1C(c2cccs2)N(CC(C)C)C(c2ccccc12)=O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.0458 |
logD: | 4.0458 |
logSw: | -4.0612 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.343 |
InChI Key: | NFDQITNRXSRHNX-UHFFFAOYSA-N |