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Chemical ID: 7344972
Chemical ID:
7344972
Name [?]:
N-[4-(2-chlorophenyl)thiazol-2-yl]-2-(2,6-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2nc(cs2)c3ccccc3Cl)C
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-12-6-5-7-13(2)18(12)24-10-17(23)22-19-21-16(11-25-19)14-8-3-4-9-15(14)20/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,20,21,4,3,5,19,22,9,16,2,6,18,23,15,10,7,13,24,14,12,11,8,17/E:(1,2)(6,7)(12,13)/rA:25nCCCCCCCOCCONCNCCSCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O2S |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1061 |
Area: | 575.771 |
Solvation: | -4.28822 |
Coulombic: | -35.7773 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.869 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.59 |
LogP (Chemaxon): | 5.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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