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Chemical ID: 6218074
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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