ChemDB: Chemical Search
Download
Chemical ID: 7144155
Chemical ID:
7144155
Name [?]:
3-[5-[3-(2-furyl)prop-2-enylidene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1cc(cc(c1)NC2=NC(=O)C(=CC=Cc3ccco3)S2)C(=O)O
InChi [?]:
InChI=1/C17H12N2O4S/c20-15-14(8-2-6-13-7-3-9-23-13)24-17(19-15)18-12-5-1-4-11(10-12)16(21)22/h1-10H,(H,21,22)(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,14,18,2,6,15,17,13,19,4,3,5,16,12,10,22,8,7,9,11,23,24,20,21/E:(21,22)/rA:24nCCCCCCNCNCOCCCCCCCCOSCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s10;w12;s13;w14;s15;d16;s17;d18;s16s19;s8s12;s3;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12N2O4S |
All Atoms: | 36 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0043 |
Area: | 555.334 |
Solvation: | -3.87909 |
Coulombic: | -63.2929 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.354 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.94 |
LogP (Chemaxon): | 3.2 |
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 |
---|