Chemical ID: 5540811

CCN1C(=O)C(=Cc2cccc(c2O)OC)SC1=Nc3ccc(cc3)C
Chemical ID:
5540811
Name [?]:
3-ethyl-5-[(2-hydroxy-3-methoxy-phenyl)methylene]-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2cccc(c2O)OC)SC1=Nc3ccc(cc3)C
InChi [?]:
InChI=1/C20H20N2O3S/c1-4-22-19(24)17(12-14-6-5-7-16(25-3)18(14)23)26-20(22)21-15-10-8-13(2)9-11-15/h5-12,23H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,16,2,10,9,11,22,24,21,25,7,23,8,20,12,6,13,4,18,19,3,14,5,15,17/E:(8,9)(10,11)/rA:26nCCNCOCCCCCCCCOOCSCNCCCCCCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s13;s12;s15;s6;s3s17;w18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.91651
Area:557.648
Solvation:-4.0247
Coulombic:-49.0921
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.6
LogP (Chemaxon):4.87

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Descriptor Annotations

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