Chemical ID: 7143370

CCOc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3cc(ccc3C)C(=O)O
Chemical ID:
7143370
Name [?]:
3-[5-[(4-ethoxyphenyl)methylene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3cc(ccc3C)C(=O)O
InChi [?]:
InChI=1/C20H18N2O4S/c1-3-26-15-8-5-13(6-9-15)10-17-18(23)22-20(27-17)21-16-11-14(19(24)25)7-4-12(16)2/h4-11H,3H2,1-2H3,(H,24,25)(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,22,6,8,21,5,9,10,19,23,7,20,4,18,11,12,25,15,17,14,13,26,27,3,16/E:(5,6)(8,9)(24,25)/rA:27nCCOCCCCCCCCCONCSNCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O4S
All Atoms:45
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.7785
Area:598.058
Solvation:-4.17294
Coulombic:-63.9542
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:382.434
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.53
LogP (Chemaxon):4.28

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