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Chemical ID: 7141403

Cc1cccc(c1C)N=C2NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2

Chemical ID:

7141403

Name [?]:

5-[[5-(2,6-dichlorophenyl)-2-furyl]methylene]-2-(2,3-dimethylphenyl)imino-thiazolidin-4-one

SMILES [?]:

Cc1cccc(c1C)N=C2NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,8,4,24,3,23,25,5,17,18,15,2,7,16,22,26,6,19,14,21,12,10,28,27,9,11,13,20,29/E:(6,7)(15,16)(23,24)/rA:29nCCCCCCCCNCNCOCCCCCCOCCCCCCClClS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;s11;d12;s12;w14;s15;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s26;s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆Cl₂N₂O₂S
All Atoms:	45
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1895
Area:	626.9
Solvation:	-3.48301
Coulombic:	-35.7063

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:	5.65
LogP (Chemaxon):	6.72

Name Annotations

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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