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Chemical ID: 6266906
Chemical ID:
6266906
Name [?]:
2-(2,4-dichlorophenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-acetamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)COc3ccc(cc3Cl)Cl)C
InChi [?]:
InChI=1/C20H18Cl2N2O3S/c1-3-26-15-7-4-13(5-8-15)19-12(2)28-20(24-19)23-18(25)11-27-17-9-6-14(21)10-16(17)22/h4-10H,3,11H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,2,6,8,22,5,9,21,24,18,11,7,23,4,25,20,16,10,13,27,26,15,14,17,3,19,12/E:(4,5)(7,8)/rA:28nCCOCCCCCCCCSCNNCOCOCCCCCCClClC/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;s25;s23;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18Cl2N2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5661 |
Area: | 664.422 |
Solvation: | -6.04449 |
Coulombic: | -41.8209 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 437.34 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.94 |
LogP (Chemaxon): | 5.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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