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Chemical ID: 7143299
Chemical ID:
7143299
Name [?]:
2-[5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C19H16N2O5S/c1-2-26-15-9-11(7-8-14(15)22)10-16-17(23)21-19(27-16)20-13-6-4-3-5-12(13)18(24)25/h3-10,22H,2H2,1H3,(H,24,25)(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,23,20,7,8,5,11,6,24,19,9,4,12,13,25,16,18,15,10,14,26,27,3,17/E:(24,25)/rA:27nCCOCCCCCCOCCCONCSNCCCCCCCOO/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;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O5S |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.96696 |
Area: | 594.714 |
Solvation: | -4.90088 |
Coulombic: | -80.4328 |
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: | 3.54 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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