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Chemical ID: 7143045

CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)N=C(S3)Nc4cc(ccc4C)C(=O)O

Chemical ID:

7143045

Name [?]:

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

SMILES [?]:

CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)N=C(S3)Nc4cc(ccc4C)C(=O)O

InChi [?]:

InChI=1/C27H23ClN2O5S/c1-3-34-23-12-17(9-11-22(23)35-15-19-6-4-5-7-20(19)28)13-24-25(31)30-27(36-24)29-21-14-18(26(32)33)10-8-16(21)2/h4-14H,3,15H2,1-2H3,(H,32,33)(H,29,30,31)

InChi Info:

AuxInfo=1/1/N:1,33,2,14,15,13,16,31,7,30,8,5,19,28,11,32,6,29,12,17,27,9,4,20,21,34,24,18,26,23,22,35,36,3,10,25/E:(32,33)/rA:36nCCOCCCCCCOCCCCCCCClCCCONCSNCCCCCCCCOO/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;s29;d34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₃ClN₂O₅S
All Atoms:	59
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	13.1053
Area:	765.37
Solvation:	-6.02897
Coulombic:	-72.9371

Bond Count [?]

All:	39
Single:	26
Double:	13
Rotors:	9
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

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value