Chemical ID: 4349910

CCOc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3cccc(c3)C
Chemical ID:
4349910
Name [?]:
5-[(4-ethoxyphenyl)methylene]-2-(m-tolylamino)thiazol-4-one
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3cccc(c3)C
InChi [?]:
InChI=1/C19H18N2O2S/c1-3-23-16-9-7-14(8-10-16)12-17-18(22)21-19(24-17)20-15-6-4-5-13(2)11-15/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,20,21,19,6,8,5,9,23,10,22,7,18,4,11,12,15,17,14,13,3,16/E:(7,8)(9,10)/rA:24nCCOCCCCCCCCCONCSNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7384
Area:553.921
Solvation:-3.10968
Coulombic:-37.4763
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:338.424
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.13
LogP (Chemaxon):4.76

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