Chemical ID: 7140103

Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(cc3)OC)S2
Chemical ID:
7140103
Name [?]:
5-[(4-methoxyphenyl)methylene]-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(cc3)OC)S2
InChi [?]:
InChI=1/C18H16N2O2S/c1-12-5-3-4-6-15(12)19-18-20-17(21)16(23-18)11-13-7-9-14(22-2)10-8-13/h3-11H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,4,5,3,6,16,20,17,19,14,2,15,18,7,13,11,9,8,10,12,21,23/E:(7,8)(9,10)/rA:23nCCCCCCCNCNCOCCCCCCCCOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O2S
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.87204
Area:521.392
Solvation:-3.16276
Coulombic:-36.997
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:324.398
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.23
LogP (Chemaxon):4.57

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