Chemical ID: 7140010

CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C)S2
Chemical ID:
7140010
Name [?]:
2-(4-ethoxyphenyl)imino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C)S2
InChi [?]:
InChI=1/C19H18N2O2S/c1-3-23-16-10-8-15(9-11-16)20-19-21-18(22)17(24-19)12-14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,2,19,21,18,22,6,8,5,9,16,20,17,7,4,15,13,11,10,12,14,3,24/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCOCCCCCCNCNCOCCCCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O2S
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6891
Area:550.972
Solvation:-3.08523
Coulombic:-36.9266
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:338.424
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.87
LogP (Chemaxon):4.91

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