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Chemical ID: 6266904
Chemical ID:
6266904
Name [?]:
2-(4-chlorophenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-acetamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)COc3ccc(cc3)Cl)C
InChi [?]:
InChI=1/C20H19ClN2O3S/c1-3-25-16-8-4-14(5-9-16)19-13(2)27-20(23-19)22-18(24)12-26-17-10-6-15(21)7-11-17/h4-11H,3,12H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,2,6,8,22,24,5,9,21,25,18,11,7,23,4,20,16,10,13,26,15,14,17,3,19,12/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCOCCCCCCCCSCNNCOCOCCCCCCClC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1385 |
Area: | 634.626 |
Solvation: | -5.72711 |
Coulombic: | -41.9818 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 402.895 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.32 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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