ChemDB: Chemical Search
Download
Chemical ID: 7143386
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|