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Chemical ID: 6218082
Chemical ID:
6218082
Name [?]:
2-(4-chlorophenoxy)-N-[4-(4-methoxy-3-methyl-phenyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1cc(ccc1OC)c2csc(n2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2O3S/c1-12-9-13(3-8-17(12)24-2)16-11-26-19(21-16)22-18(23)10-25-15-6-4-14(20)5-7-15/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,9,5,22,24,21,25,6,3,18,11,2,4,23,20,10,7,16,13,26,14,15,17,8,19,12/E:(4,5)(6,7)/rA:26nCCCCCCCOCCCSCNNCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32105 |
Area: | 610.768 |
Solvation: | -5.94815 |
Coulombic: | -41.3968 |
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: | 4.27 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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