Chemical ID: 7144161

CN(c1ccccc1C(=O)O)C2=NC(=O)C(=CC=Cc3ccco3)S2
Chemical ID:
7144161
Name [?]:
2-[[5-[3-(2-furyl)prop-2-enylidene]-4-oxo-thiazol-2-yl]-methyl-amino]benzoic acid
SMILES [?]:
CN(c1ccccc1C(=O)O)C2=NC(=O)C(=CC=Cc3ccco3)S2
InChi [?]:
InChI=1/C18H14N2O4S/c1-20(14-9-3-2-8-13(14)17(22)23)18-19-16(21)15(25-18)10-4-6-12-7-5-11-24-12/h2-11H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,6,5,18,22,19,21,7,4,17,23,20,8,3,16,14,9,12,13,2,15,10,11,24,25/E:(22,23)/rA:25nCNCCCCCCCOOCNCOCCCCCCCCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s2;d12;s13;d14;s14;w16;s17;w18;s19;d20;s21;d22;s20s23;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O4S
All Atoms:39
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.3681
Area:566.56
Solvation:-3.79594
Coulombic:-58.9198
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:354.381
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.5
LogP (Chemaxon):3.89

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