Chemical ID: 7142926

Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(cc3)OC)S2)C(=O)O
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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