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Chemical ID: 7143292
Chemical ID:
7143292
Name [?]:
2-[5-[(4-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
COc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C18H14N2O5S/c1-25-14-8-10(6-7-13(14)21)9-15-16(22)20-18(26-15)19-12-5-3-2-4-11(12)17(23)24/h2-9,21H,1H3,(H,23,24)(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,6,7,4,10,5,23,18,8,3,11,12,24,15,17,14,9,13,25,26,2,16/E:(23,24)/rA:26nCOCCCCCCOCCCONCSNCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2O5S |
All Atoms: | 40 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.12558 |
Area: | 565.01 |
Solvation: | -4.99967 |
Coulombic: | -80.1644 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.12 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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