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NSC732693,3-chloro-4-(3-chloroanilino)-1-(2-chlorobenzyl)-2,5-dihydro-

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摘 要:NSC732693,3-chloro-4-(3-chloroanilino)-1-(2-chlorobenzyl)-2,5-dihydro- 1H-2,5-pyrroledione, 3-chloro-4-[(3-chlorophenyl)amino]-1-[(2-chlorophenyl)methyl]pyrrole-2,,5-dione,Canonical SMILES: C1=CC=C(C(=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)Cl)Cl,InChI
[Synonyms]
NSC732693
3-chloro-4-(3-chloroanilino)-1-(2-chlorobenzyl)-2,5-dihydro- 1H-2,5-pyrroledione

[Structure]
NSC732693,3-chloro-4-(3-chloroanilino)-1-(2-chlorobenzyl)-2,5-dihydro-

[ Properties Computed from Structure]
Molecular Weight381.64044 [g/mol]
Molecular FormulaC17H11Cl3N2O2
XLogP4.9
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count3
Exact Mass379.988611
MonoIsotopic Mass379.988611
Topological Polar Surface Area49.4
Heavy Atom Count24
Formal Charge0
Complexity552
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-[(3-chlorophenyl)amino]-1-[(2-chlorophenyl)methyl]pyrrole-2,
5-dione
Canonical SMILES: C1=CC=C(C(=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)Cl)Cl
InChI: InChI=1/C17H11Cl3N2O2/c18-11-5-3-6-12(8-11)21-15-14(20)16(23)22(17(15)
24)9-10-4-1-2-7-13(10)19/h1-8,21H,9H2

 
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