Chemical ID: 7084061

Cc1ccc(cc1C)N=C2C(=Cc3ccc(o3)c4ccccc4)SC(=O)N2
Chemical ID:
7084061
Name [?]:
4-(3,4-dimethylphenyl)imino-5-[(5-phenyl-2-furyl)methylene]thiazolidin-2-one
SMILES [?]:
Cc1ccc(cc1C)N=C2C(=Cc3ccc(o3)c4ccccc4)SC(=O)N2
InChi [?]:
InChI=1/C22H18N2O2S/c1-14-8-9-17(12-15(14)2)23-21-20(27-22(25)24-21)13-18-10-11-19(26-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,21,20,22,19,23,3,4,14,15,6,12,2,7,18,5,13,16,11,10,25,9,27,26,17,24/E:(4,5)(6,7)/rA:27nCCCCCCCCNCCCCCCCOCCCCCCSCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;w11;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s11;s24;d25;s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O2S
All Atoms:45
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8082
Area:549.97
Solvation:-2.94103
Coulombic:-36.387
Bond Count [?]
All:30
Single:19
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:374.457
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.62
LogP (Chemaxon):5.68

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