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Chemical ID: 7143013

Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(cc3)OCc4ccccc4Cl)S2)C(=O)O

Chemical ID:

7143013

Name [?]:

3-[5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid

SMILES [?]:

Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(cc3)OCc4ccccc4Cl)S2)C(=O)O

InChi [?]:

InChI=1/C25H19ClN2O4S/c1-15-6-9-17(24(30)31)13-21(15)27-25-28-23(29)22(33-25)12-16-7-10-19(11-8-16)32-14-18-4-2-3-5-20(18)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,25,26,24,27,3,16,20,4,17,19,14,6,22,2,15,5,23,18,28,7,13,11,31,9,29,8,10,12,32,33,21,30/E:(7,8)(10,11)(30,31)/rA:33nCCCCCCCNCNCOCCCCCCCCOCCCCCCCClSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;s28;s9s13;s5;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₉ClN₂O₄S
All Atoms:	52
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	13.6475
Area:	707.272
Solvation:	-4.03427
Coulombic:	-66.5055

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.44
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