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Chemical ID: 6261038
Chemical ID:
6261038
Name [?]:
2-(4-chlorophenoxy)-N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
COc1ccc(c(c1)OC)c2csc(n2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2O4S/c1-24-14-7-8-15(17(9-14)25-2)16-11-27-19(21-16)22-18(23)10-26-13-5-3-12(20)4-6-13/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,23,25,22,26,4,5,8,19,12,24,21,3,6,11,7,17,14,27,15,16,18,2,9,20,13/E:(3,4)(5,6)/rA:27nCOCCCCCCOCCCSCNNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;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: | 8.17783 |
Area: | 625.743 |
Solvation: | -7.46575 |
Coulombic: | -47.0883 |
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: | 3.96 |
LogP (Chemaxon): | 4.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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