Chemical ID: 7142939

COc1ccc(c(c1)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O)OC
Chemical ID:
7142939
Name [?]:
2-[5-[(2,5-dimethoxyphenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O)OC
InChi [?]:
InChI=1/C19H16N2O5S/c1-25-12-7-8-15(26-2)11(9-12)10-16-17(22)21-19(27-16)20-14-6-4-3-5-13(14)18(23)24/h3-10H,1-2H3,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,27,20,19,21,18,4,5,8,9,7,3,22,17,6,10,11,23,14,16,13,12,24,25,2,26,15/E:(23,24)/rA:27nCOCCCCCCCCCONCSNCCCCCCCOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;s6;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O5S
All Atoms:43
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:9.69444
Area:585.315
Solvation:-4.93843
Coulombic:-71.1566
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.44
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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