Chemical ID: 4676519

Cc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccco3)S2)c4ccc(cc4)C
Chemical ID:
4676519
Name [?]:
5-(2-furylmethylene)-3-(p-tolyl)-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccco3)S2)c4ccc(cc4)C
InChi [?]:
InChI=1/C22H18N2O2S/c1-15-5-9-17(10-6-15)23-22-24(18-11-7-16(2)8-12-18)21(25)20(27-22)14-19-4-3-13-26-19/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,17,16,3,7,23,25,4,6,22,26,18,14,2,24,5,21,15,13,11,9,8,10,12,19,20/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCCCCNCNCOCCCCCCOSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s9s13;s10;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.39268
Area:520.808
Solvation:-3.62752
Coulombic:-30.0367
Bond Count [?]
All:30
Single:19
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:374.457
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.37
LogP (Chemaxon):6.16

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