Chemical ID: 7142922

COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3ccccc3OC)S2
Chemical ID:
7142922
Name [?]:
2-(2,4-dimethoxyphenyl)amino-5-[(2-methoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3ccccc3OC)S2
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-13-8-9-14(16(11-13)25-3)20-19-21-18(22)17(26-19)10-12-6-4-5-7-15(12)24-2/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,10,20,21,19,22,4,5,17,8,18,3,6,23,7,16,14,12,11,13,15,2,24,9,26/rA:26nCOCCCCCCOCNCNCOCCCCCCCCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4S
All Atoms:44
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:9.31776
Area:576.893
Solvation:-5.10458
Coulombic:-51.4643
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.1
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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