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Chemical ID: 6218069
Chemical ID:
6218069
Name [?]:
2-(4-chlorophenoxy)-N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(c(c1)c2csc(n2)NC(=O)COc3ccc(cc3)Cl)C
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-12-3-4-13(2)16(9-12)17-11-25-19(21-17)22-18(23)10-24-15-7-5-14(20)6-8-15/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,3,4,20,22,19,23,7,16,9,2,5,21,18,6,8,14,11,24,12,13,15,17,10/E:(5,6)(7,8)/rA:25nCCCCCCCCCSCNNCOCOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2289 |
Area: | 591.355 |
Solvation: | -4.55494 |
Coulombic: | -35.0335 |
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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