Chemical ID: 6452939

Cc1ccccc1N=C2N(C(=O)C(=Cc3ccco3)S2)c4ccccc4C
Chemical ID:
6452939
Name [?]:
5-(2-furylmethylene)-3-(o-tolyl)-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N=C2N(C(=O)C(=Cc3ccco3)S2)c4ccccc4C
InChi [?]:
InChI=1/C22H18N2O2S/c1-15-8-3-5-11-18(15)23-22-24(19-12-6-4-9-16(19)2)21(25)20(27-22)14-17-10-7-13-26-17/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,4,24,5,23,17,3,25,16,6,22,18,14,2,26,15,7,21,13,11,9,8,10,12,19,20/rA:27nCCCCCCCNCNCOCCCCCCOSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s9s13;s10;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.14997
Area:511.753
Solvation:-3.64386
Coulombic:-30.2501
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:3.95
LogP (Chemaxon):6.16

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