Chemical ID: 7143264

COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3ccc(cc3Cl)Cl)S2
Chemical ID:
7143264
Name [?]:
5-[(2,4-dichlorophenyl)methylene]-2-(2,4-dimethoxyphenyl)amino-thiazol-4-one
SMILES [?]:
COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3ccc(cc3Cl)Cl)S2
InChi [?]:
InChI=1/C18H14Cl2N2O3S/c1-24-12-5-6-14(15(9-12)25-2)21-18-22-17(23)16(26-18)7-10-3-4-11(19)8-13(10)20/h3-9H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,19,20,4,5,17,22,8,18,21,3,23,6,7,16,14,12,25,24,11,13,15,2,9,26/rA:26nCOCCCCCCOCNCNCOCCCCCCCCClClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2N2O3S
All Atoms:40
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:11.3709
Area:611.018
Solvation:-3.90458
Coulombic:-44.9431
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.43
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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