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Chemical ID: 4635202

Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4ccc(c(c4)Cl)Cl)S2)C

Chemical ID:

4635202

Name [?]:

5-[[5-(3,4-dichlorophenyl)-2-furyl]methylene]-2-(3,5-dimethylphenyl)imino-thiazolidin-4-one

SMILES [?]:

Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4ccc(c(c4)Cl)Cl)S2)C

InChi [?]:

InChI=1/C22H16Cl2N2O2S/c1-12-7-13(2)9-15(8-12)25-22-26-21(27)20(29-22)11-16-4-6-19(28-16)14-3-5-17(23)18(24)10-14/h3-11H,1-2H3,(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,29,21,16,22,17,3,7,5,25,14,2,4,20,6,15,23,24,18,13,11,9,27,26,8,10,12,19,28/E:(1,2)(8,9)(12,13)/rA:29nCCCCCCCNCNCOCCCCCCOCCCCCCClClSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;s24;s23;s9s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆Cl₂N₂O₂S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1747
Area:	653.317
Solvation:	-3.1582
Coulombic:	-36.0034

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	3
Chiral:	2
Rigid Segments:	4

Chemical Properties

Molecular Weight:	443.346
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.86
LogP (Chemaxon):	6.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value