Chemical ID: 6218074

COc1ccc(cc1OC)c2csc(n2)NC(=O)COc3ccc(cc3)Cl
Chemical ID:
6218074
Name [?]:
2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
COc1ccc(cc1OC)c2csc(n2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2O4S/c1-24-16-8-3-12(9-17(16)25-2)15-11-27-19(21-15)22-18(23)10-26-14-6-4-13(20)5-7-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,5,23,25,22,26,4,7,19,12,6,24,21,11,3,8,17,14,27,15,16,18,2,9,20,13/E:(4,5)(6,7)/rA:27nCOCCCCCCOCCCSCNNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.71687
Area:629.615
Solvation:-8.0235
Coulombic:-47.6051
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:404.868
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.7
LogP (Chemaxon):4.23

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Descriptor Annotations

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