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Chemical ID: 7077412

Cc1ccc(cc1)N2C(=S)C(=Cc3ccc(o3)c4cc(cc(c4)Cl)Cl)SC2=O

Chemical ID:

7077412

Name [?]:

5-[[5-(3,5-dichlorophenyl)-2-furyl]methylene]-3-(p-tolyl)-4-thioxo-thiazolidin-2-one

SMILES [?]:

Cc1ccc(cc1)N2C(=S)C(=Cc3ccc(o3)c4cc(cc(c4)Cl)Cl)SC2=O

InChi [?]:

InChI=1/C21H13Cl2NO2S2/c1-12-2-4-16(5-3-12)24-20(27)19(28-21(24)25)11-17-6-7-18(26-17)13-8-14(22)10-15(23)9-13/h2-11H,1H3

InChi Info:

AuxInfo=1/0/N:1,3,7,4,6,14,15,19,23,21,12,2,18,20,22,5,13,16,11,9,27,25,24,8,28,17,10,26/E:(2,3)(4,5)(8,9)(14,15)(22,23)/rA:28nCCCCCCCNCSCCCCCCOCCCCCCClClSCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s22;s20;s11;s8s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₃Cl₂NO₂S₂
All Atoms:	41
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	13.1933
Area:	633.881
Solvation:	-2.65377
Coulombic:	-28.0627

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.73
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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