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Chemical ID: 7140374

Cc1cccc(c1C)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccc(cc4)Cl)S2

Chemical ID:

7140374

Name [?]:

5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-2-(2,3-dimethylphenyl)imino-thiazolidin-4-one

SMILES [?]:

Cc1cccc(c1C)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccc(cc4)Cl)S2

InChi [?]:

InChI=1/C26H23ClN2O3S/c1-16-5-4-6-21(17(16)2)28-26-29-25(30)24(33-26)14-19-9-12-22(23(13-19)31-3)32-15-18-7-10-20(27)11-8-18/h4-14H,15H2,1-3H3,(H,28,29,30)

InChi Info:

AuxInfo=1/1/N:1,8,23,4,3,5,27,31,17,28,30,18,21,15,25,2,7,26,16,29,6,19,20,14,12,10,32,9,11,13,22,24,33/E:(7,8)(10,11)/rA:33nCCCCCCCCNCNCOCCCCCCCCOCOCCCCCCCClS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s25;s26;d27;s28;d29;d26s30;s29;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃ClN₂O₃S
All Atoms:	56
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4862
Area:	725.079
Solvation:	-5.64075
Coulombic:	-45.099

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	6
Chiral:	2
Rigid Segments:	6

Chemical Properties

Molecular Weight:	478.991
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.65
LogP (Chemaxon):	7.08

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