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Chemical ID: 7143035

CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccc(cc4)Cl)S2

Chemical ID:

7143035

Name [?]:

N-[4-[5-[[4-[(4-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)OCc4ccc(cc4)Cl)S2

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,25,29,33,19,30,32,6,10,7,9,20,23,17,27,2,28,18,31,5,8,21,22,16,14,12,34,4,11,13,3,15,24,26,35/E:(3,4)(6,7)(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;s31;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.1719
Area:	768.533
Solvation:	-7.04144
Coulombic:	-63.2522

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

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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