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Chemical ID: 7142988

c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3cccc(c3)OCc4ccc(cc4)Cl)S2

Chemical ID:

7142988

Name [?]:

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

SMILES [?]:

c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3cccc(c3)OCc4ccc(cc4)Cl)S2

InChi [?]:

InChI=1/C24H17ClN2O4S/c25-17-10-8-15(9-11-17)14-31-18-5-3-4-16(12-18)13-21-22(28)27-24(32-21)26-20-7-2-1-6-19(20)23(29)30/h1-13H,14H2,(H,29,30)(H,26,27,28)

InChi Info:

AuxInfo=1/1/N:1,2,19,18,20,6,3,26,30,27,29,22,16,24,25,17,28,21,5,4,15,13,7,11,31,10,12,14,8,9,23,32/E:(8,9)(10,11)(29,30)/rA:32nCCCCCCCOONCNCOCCCCCCCCOCCCCCCCClS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₇ClN₂O₄S
All Atoms:	49
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	13.4549
Area:	699.871
Solvation:	-4.0419
Coulombic:	-67.0688

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.86
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