Chemical ID: 4835649

CCOc1ccc(cc1OC)C=C2C(=O)NC(=Nc3ccc(cc3)C)S2
Chemical ID:
4835649
Name [?]:
5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=O)NC(=Nc3ccc(cc3)C)S2
InChi [?]:
InChI=1/C20H20N2O3S/c1-4-25-16-10-7-14(11-17(16)24-3)12-18-19(23)22-20(26-18)21-15-8-5-13(2)6-9-15/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,11,2,21,23,6,20,24,5,8,12,22,7,19,4,9,13,14,17,18,16,15,10,3,26/E:(5,6)(8,9)/rA:26nCCOCCCCCCOCCCCONCNCCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.51267
Area:590.028
Solvation:-5.23802
Coulombic:-43.114
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.51
LogP (Chemaxon):4.66

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