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Chemical ID: 7142989

Cc1ccc(cc1NC2=NC(=O)C(=Cc3cccc(c3)OCc4ccc(cc4)Cl)S2)C(=O)O

Chemical ID:

7142989

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1NC2=NC(=O)C(=Cc3cccc(c3)OCc4ccc(cc4)Cl)S2)C(=O)O

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,17,16,18,3,24,28,4,25,27,20,14,6,22,2,23,15,5,26,19,7,13,11,31,9,29,8,10,12,32,33,21,30/E:(6,7)(9,10)(30,31)/rA:33nCCCCCCCNCNCOCCCCCCCCOCCCCCCCClSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;s9s13;s5;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	13.377
Area:	716.354
Solvation:	-4.53183
Coulombic:	-65.9741

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