Chemical ID: 4845207

CCOc1cc(ccc1O)C=C2C(=O)NC(=Nc3cccc(c3)C)S2
Chemical ID:
4845207
Name [?]:
5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-2-(m-tolylimino)thiazolidin-4-one
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)NC(=Nc3cccc(c3)C)S2
InChi [?]:
InChI=1/C19H18N2O3S/c1-3-24-16-10-13(7-8-15(16)22)11-17-18(23)21-19(25-17)20-14-6-4-5-12(2)9-14/h4-11,22H,3H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,20,21,19,7,8,23,5,11,22,6,18,9,4,12,13,16,17,15,10,14,3,25/rA:25nCCOCCCCCCOCCCONCNCCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.84029
Area:569.109
Solvation:-4.38744
Coulombic:-52.2963
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:354.424
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.46
LogP (Chemaxon):4.62

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Descriptor Annotations

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