Chemical ID: 7143300

CCOc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3cc(ccc3C)C(=O)O
Chemical ID:
7143300
Name [?]:
3-[5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3cc(ccc3C)C(=O)O
InChi [?]:
InChI=1/C20H18N2O5S/c1-3-27-16-8-12(5-7-15(16)23)9-17-18(24)22-20(28-17)21-14-10-13(19(25)26)6-4-11(14)2/h4-10,23H,3H2,1-2H3,(H,25,26)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,23,7,22,8,5,11,20,24,6,21,19,9,4,12,13,26,16,18,15,10,14,27,28,3,17/E:(25,26)/rA:28nCCOCCCCCCOCCCONCSNCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s24;s21;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O5S
All Atoms:46
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:9.87077
Area:612.099
Solvation:-5.4317
Coulombic:-79.2764
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.13
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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