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Chemical ID: 7143300
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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