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Chemical ID: 7143036

COc1cc(ccc1OCc2ccc(cc2)Cl)C=C3C(=O)N=C(S3)Nc4ccccc4C(=O)O

Chemical ID:

7143036

Name [?]:

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

SMILES [?]:

COc1cc(ccc1OCc2ccc(cc2)Cl)C=C3C(=O)N=C(S3)Nc4ccccc4C(=O)O

InChi [?]:

InChI=1/C25H19ClN2O5S/c1-32-21-12-16(8-11-20(21)33-14-15-6-9-17(26)10-7-15)13-22-23(29)28-25(34-22)27-19-5-3-2-4-18(19)24(30)31/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,29,28,30,27,12,16,6,13,15,7,4,18,10,11,5,14,31,26,8,3,19,20,32,23,17,25,22,21,33,34,2,9,24/E:(6,7)(9,10)(30,31)/rA:34nCOCCCCCCOCCCCCCCClCCCONCSNCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s5;w18;s19;d20;s20;d22;s19s23;s23;s25;s26;d27;s28;d29;d26s30;s31;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₉ClN₂O₅S
All Atoms:	53
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	12.2017
Area:	733.559
Solvation:	-6.13728
Coulombic:	-73.145

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.51
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