Chemical ID: 4851216

CCOc1cc(ccc1O)C=C2C(=O)NC(=Nc3ccc(cc3C)C)S2
Chemical ID:
4851216
Name [?]:
2-(2,4-dimethylphenyl)imino-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)NC(=Nc3ccc(cc3C)C)S2
InChi [?]:
InChI=1/C20H20N2O3S/c1-4-25-17-10-14(6-8-16(17)23)11-18-19(24)22-20(26-18)21-15-7-5-12(2)9-13(15)3/h5-11,23H,4H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,24,2,20,7,19,8,22,5,11,21,23,6,18,9,4,12,13,16,17,15,10,14,3,26/rA:26nCCOCCCCCCOCCCONCNCCCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3533
Area:587.773
Solvation:-4.34099
Coulombic:-52.2362
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.69
LogP (Chemaxon):5.09

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Descriptor Annotations

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