Chemical ID: 5540304

CCN1C(=O)C(=Cc2cccc(c2)OCC)SC1=Nc3ccccc3
Chemical ID:
5540304
Name [?]:
5-[(3-ethoxyphenyl)methylene]-3-ethyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2cccc(c2)OCC)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C20H20N2O2S/c1-3-22-19(23)18(14-15-9-8-12-17(13-15)24-4-2)25-20(22)21-16-10-6-5-7-11-16/h5-14H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,15,23,22,24,10,9,21,25,11,13,7,8,20,12,6,4,18,19,3,5,14,17/E:(6,7)(10,11)/rA:25nCCNCOCCCCCCCCOCCSCNCCCCCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;s6;s3s17;w18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6973
Area:547.775
Solvation:-2.99708
Coulombic:-33.6351
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:352.451
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.99
LogP (Chemaxon):5.03

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Descriptor Annotations

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