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Chemical ID: 7141425

c1ccc2cc(ccc2c1)N=C3NC(=O)C(=Cc4ccc(o4)c5c(cccc5Cl)Cl)S3

Chemical ID:

7141425

Name [?]:

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

SMILES [?]:

c1ccc2cc(ccc2c1)N=C3NC(=O)C(=Cc4ccc(o4)c5c(cccc5Cl)Cl)S3

InChi [?]:

InChI=1/C24H14Cl2N2O2S/c25-18-6-3-7-19(26)22(18)20-11-10-17(30-20)13-21-23(29)28-24(31-21)27-16-9-8-14-4-1-2-5-15(14)12-16/h1-13H,(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,2,26,10,3,25,27,8,7,19,20,5,17,9,4,6,18,24,28,21,16,23,14,12,30,29,11,13,15,22,31/E:(6,7)(18,19)(25,26)/rA:31nCCCCCCCCCCNCNCOCCCCCCOCCCCCCClClS/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;w11;s12;s13;d14;s14;w16;s17;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s28;s24;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₄Cl₂N₂O₂S
All Atoms:	45
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	12.5396
Area:	647.715
Solvation:	-3.65332
Coulombic:	-36.5911

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.26
LogP (Chemaxon):	None

Name Annotations

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

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