Chemical ID: 4346091

Cc1cccc(c1C)NC2=NC(=O)C(=Cc3cccc(c3)OC)S2
Chemical ID:
4346091
Name [?]:
2-(2,3-dimethylphenyl)amino-5-[(3-methoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
Cc1cccc(c1C)NC2=NC(=O)C(=Cc3cccc(c3)OC)S2
InChi [?]:
InChI=1/C19H18N2O2S/c1-12-6-4-9-16(13(12)2)20-19-21-18(22)17(24-19)11-14-7-5-8-15(10-14)23-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,23,4,18,3,17,19,5,21,15,2,7,16,20,6,14,12,10,9,11,13,22,24/rA:24nCCCCCCCCNCNCOCCCCCCCCOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.3743
Area:540.412
Solvation:-3.13598
Coulombic:-37.1887
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:338.424
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.93
LogP (Chemaxon):4.89

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