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ASN 03067431 N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-methylpiperidin-1

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摘 要:ASN 03067431 N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-methylpiperidin-1-yl),acetohydrazide,Canonical SMILES: CC1CCN(CC1)CC(=O)NNC(=O)COC2=CC=C(C=C2)C(C)(C)C,InChI: InChI=1/C20H31N3O3/c1-15-9-11-23(12-10-15)13-18(24)21-22-19(25)14-26-17-,7-5-16(6-8-17)
[Synonyms]
ASN 03067431
[Structure]
ASN 03067431 N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-methylpiperidin-1

[ Properties Computed from Structure]
Molecular Weight361.47844 [g/mol]
Molecular FormulaC20H31N3O3
XLogP3.7
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count6
Tautomer Count4
Exact Mass361.236542
MonoIsotopic Mass361.236542
Topological Polar Surface Area70.7
Heavy Atom Count26
Formal Charge0
Complexity459
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-methylpiperidin-1-yl)
acetohydrazide
Canonical SMILES: CC1CCN(CC1)CC(=O)NNC(=O)COC2=CC=C(C=C2)C(C)(C)C
InChI: InChI=1/C20H31N3O3/c1-15-9-11-23(12-10-15)13-18(24)21-22-19(25)14-26-17-
7-5-16(6-8-17)20(2,3)4/h5-8,15H,9-14H2,1-4H3,(H,21,24)(H,22,
25)/f/h21-22H

 
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