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Chemical ID: 7142926
Chemical ID:
7142926
Name [?]:
3-[5-[(4-methoxyphenyl)methylene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(cc3)OC)S2)C(=O)O
InChi [?]:
InChI=1/C19H16N2O4S/c1-11-3-6-13(18(23)24)10-15(11)20-19-21-17(22)16(26-19)9-12-4-7-14(25-2)8-5-12/h3-10H,1-2H3,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,3,16,20,4,17,19,14,6,2,15,5,18,7,13,11,24,9,8,10,12,25,26,21,23/E:(4,5)(7,8)(23,24)/rA:26nCCCCCCCNCNCOCCCCCCCCOCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s9s13;s5;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O4S |
All Atoms: | 42 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.93083 |
Area: | 568.068 |
Solvation: | -4.27087 |
Coulombic: | -63.685 |
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: | 3.11 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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