Chemical ID: 7140130

CCc1ccccc1N=C2NC(=O)C(=Cc3ccc(cc3OC)OC)S2
Chemical ID:
7140130
Name [?]:
5-[(2,4-dimethoxyphenyl)methylene]-2-(2-ethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCc1ccccc1N=C2NC(=O)C(=Cc3ccc(cc3OC)OC)S2
InChi [?]:
InChI=1/C20H20N2O3S/c1-4-13-7-5-6-8-16(13)21-20-22-19(23)18(26-20)11-14-9-10-15(24-2)12-17(14)25-3/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,23,2,5,6,4,7,17,18,15,20,3,16,19,8,21,14,12,10,9,11,13,24,22,26/rA:26nCCCCCCCCNCNCOCCCCCCCCOCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.356
Area:579.833
Solvation:-4.13982
Coulombic:-44.0418
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.61
LogP (Chemaxon):4.71

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