methyl 2-{[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
methyl 2-{[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | C066-0449 |
Compound Name: | methyl 2-{[2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate |
Molecular Weight: | 512.61 |
Molecular Formula: | C31 H32 N2 O5 |
Smiles: | COC(c1ccccc1NC(C1C(c2ccc(cc2)OC)N(C2CCCCC2)C(c2ccccc12)=O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.6626 |
logD: | 5.2226 |
logSw: | -5.436 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.984 |
InChI Key: | AXPYBVGXMSPZDS-UHFFFAOYSA-N |