Chemical ID: 6464696

Cc1ccc(c(c1)N=C2N(C(=O)C(=Cc3ccccc3O)S2)C)C
Chemical ID:
6464696
Name [?]:
2-(2,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylene]-3-methyl-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N=C2N(C(=O)C(=Cc3ccccc3O)S2)C)C
InChi [?]:
InChI=1/C19H18N2O2S/c1-12-8-9-13(2)15(10-12)20-19-21(3)18(23)17(24-19)11-14-6-4-5-7-16(14)22/h4-11,22H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,23,17,18,16,19,3,4,7,14,2,5,15,6,20,13,11,9,8,10,21,12,22/rA:24nCCCCCCCNCNCOCCCCCCCCOSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s9s13;s10;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6617
Area:522.896
Solvation:-2.41075
Coulombic:-42.0922
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:338.424
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.49
LogP (Chemaxon):5.25

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