2-{[2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide
Chemical Structure Depiction of
2-{[2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide
2-{[2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide
Compound characteristics
Compound ID: | V004-6999 |
Compound Name: | 2-{[2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide |
Molecular Weight: | 460.62 |
Molecular Formula: | C29 H36 N2 O3 |
Smiles: | CCC(C(NCC=C)=O)Oc1ccc2CCN(C(c3ccc(C)cc3)c2c1)C(C1CCCC1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.8314 |
logD: | 5.8314 |
logSw: | -5.3435 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.618 |
InChI Key: | MJOSHOBSVHKJMM-UHFFFAOYSA-N |