Chemical ID: 7143386

Cc1ccc(cc1NC2=NC(=O)C(=Cc3cccnc3)S2)C(=O)O
Chemical ID:
7143386
Name [?]:
4-methyl-3-[4-oxo-5-(3-pyridylmethylene)thiazol-2-yl]amino-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC2=NC(=O)C(=Cc3cccnc3)S2)C(=O)O
InChi [?]:
InChI=1/C17H13N3O3S/c1-10-4-5-12(16(22)23)8-13(10)19-17-20-15(21)14(24-17)7-11-3-2-6-18-9-11/h2-9H,1H3,(H,22,23)(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,17,16,3,4,18,14,6,20,2,15,5,7,13,11,22,9,19,8,10,12,23,24,21/E:(22,23)/rA:24nCCCCCCCNCNCOCCCCCCNCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s9s13;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3O3S
All Atoms:37
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.6461
Area:527.685
Solvation:-3.54603
Coulombic:-60.2632
Bond Count [?]
All:26
Single:16
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:339.37
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.94
LogP (Chemaxon):2.01

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Descriptor Annotations

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