Chemical ID: 5561663

Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3cccc(c3O)OC)S2)C
Chemical ID:
5561663
Name [?]:
2-(3,5-dimethylphenyl)imino-5-[(2-hydroxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3cccc(c3O)OC)S2)C
InChi [?]:
InChI=1/C19H18N2O3S/c1-11-7-12(2)9-14(8-11)20-19-21-18(23)16(25-19)10-13-5-4-6-15(24-3)17(13)22/h4-10,22H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,23,17,16,18,3,7,5,14,2,4,15,6,19,13,20,11,9,8,10,21,12,22,24/E:(1,2)(8,9)(11,12)/rA:25nCCCCCCCNCNCOCCCCCCCCOOCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s19;s22;s9s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.93814
Area:560.773
Solvation:-4.08119
Coulombic:-52.5144
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:354.424
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.47
LogP (Chemaxon):4.75

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