ChemDB: Chemical Search
Download
Chemical ID: 7143222
Chemical ID:
7143222
Name [?]:
2-[5-[(4-methoxycarbonylphenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
COC(=O)c1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C19H14N2O5S/c1-26-18(25)12-8-6-11(7-9-12)10-15-16(22)21-19(27-15)20-14-5-3-2-4-13(14)17(23)24/h2-10H,1H3,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,20,7,9,6,10,11,8,5,24,19,12,13,25,3,16,18,15,14,26,27,4,2,17/E:(6,7)(8,9)(23,24)/rA:27nCOCOCCCCCCCCCONCSNCCCCCCCOO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14N2O5S |
All Atoms: | 41 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.594 |
Area: | 594.159 |
Solvation: | -3.25999 |
Coulombic: | -77.6011 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.55 |
LogP (Chemaxon): | None |
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 |
---|