Chemical ID: 4506930

c1ccc(cc1)N2C(=O)C(=Cc3ccco3)SC2=O
Chemical ID:
4506930
Name [?]:
5-(2-furylmethylene)-3-phenyl-thiazolidine-2,4-dione
SMILES [?]:
c1ccc(cc1)N2C(=O)C(=Cc3ccco3)SC2=O
InChi [?]:
InChI=1/C14H9NO3S/c16-13-12(9-11-7-4-8-18-11)19-14(17)15(13)10-5-2-1-3-6-10/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,15,11,4,12,10,8,18,7,9,19,16,17/E:(2,3)(5,6)/rA:19nCCCCCCNCOCCCCCCOSCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;w10;s11;d12;s13;d14;s12s15;s10;s7s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9NO3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.13118
Area:434.999
Solvation:-3.7438
Coulombic:-33.1481
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:271.292
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.84
LogP (Chemaxon):2.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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