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Chemical ID: 7143027

CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccccc4Cl)S2

Chemical ID:

7143027

Name [?]:

N-[4-[5-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide

SMILES [?]:

CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccccc4Cl)S2

InChi [?]:

InChI=1/C26H22ClN3O4S/c1-16(31)28-19-8-10-20(11-9-19)29-26-30-25(32)24(35-26)14-17-7-12-22(23(13-17)33-2)34-15-18-5-3-4-6-21(18)27/h3-14H,15H2,1-2H3,(H,28,31)(H,29,30,32)

InChi Info:

AuxInfo=1/1/N:1,25,30,31,29,32,19,6,10,7,9,20,23,17,27,2,18,28,5,8,33,21,22,16,14,12,34,4,11,13,3,15,24,26,35/E:(8,9)(10,11)/rA:35nCCONCCCCCCNCNCOCCCCCCCCOCOCCCCCCCClS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s28;d29;s30;d31;d28s32;s33;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂ClN₃O₄S
All Atoms:	57
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	12.5845
Area:	760.258
Solvation:	-6.42196
Coulombic:	-63.9621

Bond Count [?]

All:	38
Single:	25
Double:	13
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.08
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

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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