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Chemical ID: 6218071
Chemical ID:
6218071
Name [?]:
2-(4-chlorophenoxy)-N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1C)c2csc(n2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-12-3-4-14(9-13(12)2)17-11-25-19(21-17)22-18(23)10-24-16-7-5-15(20)6-8-16/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,21,23,20,24,6,17,10,2,7,5,22,19,9,15,12,25,13,14,16,18,11/E:(5,6)(7,8)/rA:25nCCCCCCCCCCSCNNCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2608 |
Area: | 594.866 |
Solvation: | -4.6109 |
Coulombic: | -34.913 |
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: | 5.01 |
LogP (Chemaxon): | 5.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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