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Chemical ID: 7141404

Cc1ccc(c(c1)C)N=C2NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2

Chemical ID:

7141404

Name [?]:

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

SMILES [?]:

Cc1ccc(c(c1)C)N=C2NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,8,24,23,25,3,17,4,18,7,15,2,6,16,22,26,5,19,14,21,12,10,28,27,9,11,13,20,29/E:(4,5)(15,16)(23,24)/rA:29nCCCCCCCCNCNCOCCCCCCOCCCCCCClClS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;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:	12.296
Area:	631.718
Solvation:	-3.49697
Coulombic:	-35.6725

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

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

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Chemical Mix	Source	External ID	Descriptor	Value