Chemical ID: 4533810

Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)Cl)Cl)S2)C
Chemical ID:
4533810
Name [?]:
5-[(3,4-dichlorophenyl)methylene]-2-(3,5-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)Cl)Cl)S2)C
InChi [?]:
InChI=1/C18H14Cl2N2OS/c1-10-5-11(2)7-13(6-10)21-18-22-17(23)16(24-18)9-12-3-4-14(19)15(20)8-12/h3-9H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,16,17,3,7,5,20,14,2,4,15,6,18,19,13,11,9,22,21,8,10,12,23/E:(1,2)(6,7)(10,11)/rA:24nCCCCCCCNCNCOCCCCCCCCClClSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s9s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2N2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:12.5157
Area:573.898
Solvation:-1.83177
Coulombic:-30.5445
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:377.288
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.21
LogP (Chemaxon):6.32

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