Chemical ID: 4793558

Cc1cccc(c1)N=C2NC(=O)C(=Cc3cccc(c3OC)OC)S2
Chemical ID:
4793558
Name [?]:
5-[(2,3-dimethoxyphenyl)methylene]-2-(m-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)N=C2NC(=O)C(=Cc3cccc(c3OC)OC)S2
InChi [?]:
InChI=1/C19H18N2O3S/c1-12-6-4-8-14(10-12)20-19-21-18(22)16(25-19)11-13-7-5-9-15(23-2)17(13)24-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,22,4,17,3,16,5,18,7,14,2,15,6,19,13,20,11,9,8,10,12,23,21,25/rA:25nCCCCCCCNCNCOCCCCCCCCOCOCS/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s19;s23;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.53874
Area:555.825
Solvation:-4.35689
Coulombic:-44.2344
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:354.424
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.09
LogP (Chemaxon):4.31

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue