Free Chemical Databases
-
[Synonyms]
NSC703464
NCI60_036973
[Structure]
[ Properties Computed from Structure]
Molecular Weight 448.1505 [g/mol] Molecular Formula C17H10Cl4N2O2S XLogP 5.3 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 2 Exact Mass 447.918759 MonoIsotopic Mass 445.921709 Topological Polar Surface Area 40.6 Heavy Atom Count 26 Formal Charge 0 Complexity 545 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: [3-(2,4-dichlorobenzoyl)-2-sulfanylideneimidazolidin-1-yl]-(2,
4-dichlorophenyl)methanone
Canonical SMILES: C1CN(C(=S)N1C(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1/C17H10Cl4N2O2S/c18-9-1-3-11(13(20)7-9)15(24)22-5-6-23(17(22)26)
16(25)12-4-2-10(19)8-14(12)21/h1-4,7-8H,5-6H2
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