Chemical ID: 6465024

CN1C(=O)C(=Cc2ccc(o2)c3cccc(c3)F)SC1=Nc4ccc(cc4)C(=O)O
Chemical ID:
6465024
Name [?]:
4-[5-[[5-(3-fluorophenyl)-2-furyl]methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
CN1C(=O)C(=Cc2ccc(o2)c3cccc(c3)F)SC1=Nc4ccc(cc4)C(=O)O
InChi [?]:
InChI=1/C22H15FN2O4S/c1-25-20(26)19(30-22(25)24-16-7-5-13(6-8-16)21(27)28)12-17-9-10-18(29-17)14-3-2-4-15(23)11-14/h2-12H,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,24,26,23,27,8,9,17,6,25,12,16,22,7,10,5,3,28,20,18,21,2,4,29,30,11,19/E:(5,6)(7,8)(27,28)/rA:30nCNCOCCCCCCOCCCCCCFSCNCCCCCCCOO/rB:s1;s2;d3;s3;w5;s6;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s16;s5;s2s19;w20;s21;s22;d23;s24;d25;d22s26;s25;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15FN2O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.2409
Area:609.694
Solvation:-5.00145
Coulombic:-61.6297
Bond Count [?]
All:33
Single:21
Double:12
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:422.43
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.66
LogP (Chemaxon):4.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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