AC1NQD0E structure

AC1NQD0E

3-(3,5-dimethoxyphenyl)-2-[4-[4-[3-(3-methoxypropylamino)-3-oxopropyl]-3-methyl-1-phenylpyrazol-5-yl]oxyphenyl]-N,N-dimethylprop-2-enamide

Also Known As: 3-(3,5-dimethoxyphenyl)-2-[4-[4-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methyl-2-phenylpyrazol-3-yl]oxyphenyl]-N,N-dimethylprop-2-enamide|3-(3,5-Dimethoxyphenyl)-2-{4-[(4-{3-[(3-methoxypropyl)amino]-3-oxopropyl}-3-methyl-1-phenyl-1H-pyrazol-5-yl)oxy]phenyl}-N,N-dimethylprop-2-enamide|3-[5-[4-[2-(3,5-dimethoxyphenyl)-1-(dimethylcarbamoyl)ethenyl]phenoxy]-3-methyl-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)propanamide|Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-, acetate (salt)|Morphinan-6.alpha.-ol, 7,8-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl-, acetate (salt)

CAS: 5913-71-3
Molecular Formula C36H42N4O6
Molecular Weight 626.3104 g/mol
LogP 5.70432
Topological Polar Surface Area 104.15 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 15
Exact Mass 626.3104
Monoisotopic Mass 626.3104
Heavy Atoms 46
Complexity 1622.9681

Chemical Identifiers

CAS Number 5913-71-3
SMILES CC1=NN(C(=C1CCC(=O)NCCCOC)OC2=CC=C(C=C2)C(=CC3=CC(=CC(=C3)OC)OC)C(=O)N(C)C)C4=CC=CC=C4

Product Overview

AC1NQD0E (CAS 5913-71-3), with molecular formula C36H42N4O6 and molecular weight 626.3104 g/mol. IUPAC: 3-(3,5-dimethoxyphenyl)-2-[4-[4-[3-(3-methoxypropylamino)-3-oxopropyl]-3-methyl-1-phenylpyrazol-5-yl]oxyphenyl]-N,N-dimethylprop-2-enamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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