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Chemical ID: 7375851
Chemical ID:
7375851
Name [?]:
2-(2-chlorophenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-acetamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)COc2ccccc2Cl)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H17ClN2O3S/c1-12-18(13-7-9-14(24-2)10-8-13)22-19(26-12)21-17(23)11-25-16-6-4-3-5-15(16)20/h3-10H,11H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,15,14,16,13,20,24,21,23,10,2,19,22,17,12,8,3,5,18,7,4,9,25,11,6/E:(7,8)(9,10)/rA:26nCCCNCSNCOCOCCCCCCClCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s3;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O3S |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.10653 |
Area: | 607.36 |
Solvation: | -6.07748 |
Coulombic: | -41.9765 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 388.869 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.9 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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