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Chemical ID: 7143044

CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)N=C(S3)Nc4ccccc4C(=O)O

Chemical ID:

7143044

Name [?]:

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

SMILES [?]:

CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)N=C(S3)Nc4ccccc4C(=O)O

InChi [?]:

InChI=1/C26H21ClN2O5S/c1-2-33-22-13-16(11-12-21(22)34-15-17-7-3-5-9-19(17)27)14-23-24(30)29-26(35-23)28-20-10-6-4-8-18(20)25(31)32/h3-14H,2,15H2,1H3,(H,31,32)(H,28,29,30)

InChi Info:

AuxInfo=1/1/N:1,2,14,30,15,29,13,31,16,28,7,8,5,19,11,6,12,32,17,27,9,4,20,21,33,24,18,26,23,22,34,35,3,10,25/E:(31,32)/rA:35nCCOCCCCCCOCCCCCCCClCCCONCSNCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;w19;s20;d21;s21;d23;s20s24;s24;s26;s27;d28;s29;d30;d27s31;s32;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₁ClN₂O₅S
All Atoms:	56
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	13.2579
Area:	747.702
Solvation:	-5.43465
Coulombic:	-74.0957

Bond Count [?]

All:	38
Single:	25
Double:	13
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.93
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