Chemical ID: 7143303

CCOc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3ccc(cc3OC)OC
Chemical ID:
7143303
Name [?]:
2-(2,4-dimethoxyphenyl)amino-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]thiazol-4-one
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3ccc(cc3OC)OC
InChi [?]:
InChI=1/C20H20N2O5S/c1-4-27-17-9-12(5-8-15(17)23)10-18-19(24)22-20(28-18)21-14-7-6-13(25-2)11-16(14)26-3/h5-11,23H,4H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,28,26,2,7,21,20,8,5,11,23,6,22,19,9,24,4,12,13,16,18,15,10,14,27,25,3,17/rA:28nCCOCCCCCCOCCCONCSNCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s24;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O5S
All Atoms:48
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:9.18294
Area:623.794
Solvation:-6.4119
Coulombic:-66.634
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.12
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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