Chemical ID: 6266906

CCOc1ccc(cc1)c2c(sc(n2)NC(=O)COc3ccc(cc3Cl)Cl)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue