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NSC728147,ST5326318,3-chloro-4-(4-methoxyphenethylamino)-1-phenethyl-2

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摘 要:NSC728147,ST5326318,3-chloro-4-(4-methoxyphenethylamino)-1-phenethyl-2,5-dihydro -1H-2,5-pyrroledione, 3-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrole-2,,5-dione,Canonical SMILES: COC1=CC=C(C=C1)CCNC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)C
[Synonyms]
NSC728147
ST5326318
3-chloro-4-(4-methoxyphenethylamino)-1-phenethyl-2,5-dihydro -1H-2,5-pyrroledione

[Structure]
NSC728147,ST5326318,3-chloro-4-(4-methoxyphenethylamino)-1-phenethyl-2

[ Properties Computed from Structure]
Molecular Weight384.85604 [g/mol]
Molecular FormulaC21H21ClN2O3
XLogP4.1
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count8
Tautomer Count3
Exact Mass384.12407
MonoIsotopic Mass384.12407
Topological Polar Surface Area58.6
Heavy Atom Count27
Formal Charge0
Complexity564
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: 3-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrole-2,
5-dione
Canonical SMILES: COC1=CC=C(C=C1)CCNC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl
InChI: InChI=1/C21H21ClN2O3/c1-27-17-9-7-16(8-10-17)11-13-23-19-18(22)20(25)24
(21(19)26)14-12-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3

 
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