Chemical ID: 7143292

COc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
Chemical ID:
7143292
Name [?]:
2-[5-[(4-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
COc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C18H14N2O5S/c1-25-14-8-10(6-7-13(14)21)9-15-16(22)20-18(26-15)19-12-5-3-2-4-11(12)17(23)24/h2-9,21H,1H3,(H,23,24)(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,6,7,4,10,5,23,18,8,3,11,12,24,15,17,14,9,13,25,26,2,16/E:(23,24)/rA:26nCOCCCCCCOCCCONCSNCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O5S
All Atoms:40
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:9.12558
Area:565.01
Solvation:-4.99967
Coulombic:-80.1644
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.12
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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