Chemical ID: 6468988

CCN1C(=O)C(=Cc2ccncc2)SC1=Nc3ccc(c(c3)C)C
Chemical ID:
6468988
Name [?]:
2-(3,4-dimethylphenyl)imino-3-ethyl-5-(4-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccncc2)SC1=Nc3ccc(c(c3)C)C
InChi [?]:
InChI=1/C19H19N3OS/c1-4-22-18(23)17(12-15-7-9-20-10-8-15)24-19(22)21-16-6-5-13(2)14(3)11-16/h5-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,23,2,19,18,9,13,10,12,22,7,20,21,8,17,6,4,15,11,16,3,5,14/E:(7,8)(9,10)/rA:24nCCNCOCCCCCNCCSCNCCCCCCCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s6;s3s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.5138
Area:518.873
Solvation:-2.45803
Coulombic:-29.2717
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:337.44
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.28
LogP (Chemaxon):4.56

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