Chemical ID: 6467813

CCN1C(=O)C(=Cc2ccc(cc2)Cl)SC1=Nc3ccc(cc3)OCC
Chemical ID:
6467813
Name [?]:
5-[(4-chlorophenyl)methylene]-2-(4-ethoxyphenyl)imino-3-ethyl-thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(cc2)Cl)SC1=Nc3ccc(cc3)OCC
InChi [?]:
InChI=1/C20H19ClN2O2S/c1-3-23-19(24)18(13-14-5-7-15(21)8-6-14)26-20(23)22-16-9-11-17(12-10-16)25-4-2/h5-13H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,25,9,13,10,12,19,23,20,22,7,8,11,18,21,6,4,16,14,17,3,5,24,15/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCNCOCCCCCCCCClSCNCCCCCCOCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s11;s6;s3s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4735
Area:581.294
Solvation:-3.05887
Coulombic:-33.405
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:386.896
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.62
LogP (Chemaxon):5.55

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