Chemical ID: 7142947

COc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
Chemical ID:
7142947
Name [?]:
2-[5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
COc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C19H16N2O5S/c1-25-14-8-7-11(9-15(14)26-2)10-16-17(22)21-19(27-16)20-13-6-4-3-5-12(13)18(23)24/h3-10H,1-2H3,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,22,21,23,20,5,4,7,11,6,24,19,3,8,12,13,25,16,18,15,14,26,27,2,9,17/E:(23,24)/rA:27nCOCCCCCCOCCCCONCSNCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O5S
All Atoms:43
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:8.74454
Area:584.116
Solvation:-5.85836
Coulombic:-70.9561
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.17
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue