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Chemical ID: 7142734

CCCCN=C1N(C(=O)C(=Cc2ccc(o2)c3c(cccc3Cl)Cl)S1)CCCC

Chemical ID:

7142734

Name [?]:

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

SMILES [?]:

CCCCN=C1N(C(=O)C(=Cc2ccc(o2)c3c(cccc3Cl)Cl)S1)CCCC

InChi [?]:

InChI=1/C22H24Cl2N2O2S/c1-3-5-12-25-22-26(13-6-4-2)21(27)19(29-22)14-15-10-11-18(28-15)20-16(23)8-7-9-17(20)24/h7-11,14H,3-6,12-13H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,29,2,28,3,27,20,19,21,13,14,4,26,11,12,18,22,15,10,17,8,6,24,23,5,7,9,16,25/E:(8,9)(16,17)(23,24)/rA:29nCCCCNCNCOCCCCCCOCCCCCCClClSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s18;s6s10;s7;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄Cl₂N₂O₂S
All Atoms:	53
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	13.5921
Area:	679.428
Solvation:	-3.39363
Coulombic:	-32.4157

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.38
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