Chemical ID: 6165725

Cc1ccc(cc1OC)C=C2C(=O)N(C(=O)S2)c3ccccc3
Chemical ID:
6165725
Name [?]:
5-[(3-methoxy-4-methyl-phenyl)methylene]-3-phenyl-thiazolidine-2,4-dione
SMILES [?]:
Cc1ccc(cc1OC)C=C2C(=O)N(C(=O)S2)c3ccccc3
InChi [?]:
InChI=1/C18H15NO3S/c1-12-8-9-13(10-15(12)22-2)11-16-17(20)19(18(21)23-16)14-6-4-3-5-7-14/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,21,20,22,19,23,3,4,6,10,2,5,18,7,11,12,15,14,13,16,8,17/E:(4,5)(6,7)/rA:23nCCCCCCCOCCCCONCOSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.06974
Area:512.696
Solvation:-3.74766
Coulombic:-36.0885
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:325.383
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.28
LogP (Chemaxon):3.97

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