Chemical ID: 6616669

CCN1C(=O)C(=Cc2ccc(cc2)O)SC1=Nc3ccc(cc3)OCC
Chemical ID:
6616669
Name [?]:
2-(4-ethoxyphenyl)imino-3-ethyl-5-[(4-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(cc2)O)SC1=Nc3ccc(cc3)OCC
InChi [?]:
InChI=1/C20H20N2O3S/c1-3-22-19(24)18(13-14-5-9-16(23)10-6-14)26-20(22)21-15-7-11-17(12-8-15)25-4-2/h5-13,23H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,25,9,13,19,23,10,12,20,22,7,8,18,11,21,6,4,16,17,3,14,5,24,15/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCNCOCCCCCCCCOSCNCCCCCCOCC/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:C20H20N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0141
Area:562.682
Solvation:-4.05299
Coulombic:-48.2111
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.59
LogP (Chemaxon):4.75

Name Annotations

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Descriptor Annotations

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