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Chemical ID: 7143032

COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccccc4Cl)S2

Chemical ID:

7143032

Name [?]:

5-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-2-(2,4-dimethoxyphenyl)amino-thiazol-4-one

SMILES [?]:

COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccccc4Cl)S2

InChi [?]:

InChI=1/C26H23ClN2O5S/c1-31-18-9-10-20(22(14-18)32-2)28-26-29-25(30)24(35-26)13-16-8-11-21(23(12-16)33-3)34-15-17-6-4-5-7-19(17)27/h4-14H,15H2,1-3H3,(H,28,29,30)

InChi Info:

AuxInfo=1/1/N:1,10,25,30,31,29,32,19,4,5,20,23,17,8,27,18,28,3,33,6,21,7,22,16,14,12,34,11,13,15,2,9,24,26,35/rA:35nCOCCCCCCOCNCNCOCCCCCCCCOCOCCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;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:	C₂₆H₂₃ClN₂O₅S
All Atoms:	58
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	11.6403
Area:	751.56
Solvation:	-7.14875
Coulombic:	-60.0373

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.08
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