Chemical ID: 4815514

Cc1cccc(c1)OCC(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl
Chemical ID:
4815514
Name [?]:
N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C19H16Cl2N2O2S/c1-12-3-2-4-15(7-12)25-11-18(24)23-19-22-10-16(26-19)9-13-8-14(20)5-6-17(13)21/h2-8,10H,9,11H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,22,23,7,20,18,15,9,2,19,21,6,16,24,10,13,26,25,14,12,11,8,17/rA:26nCCCCCCCOCCONCNCCSCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Cl2N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1944
Area:620.056
Solvation:-5.30697
Coulombic:-34.2841
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:407.314
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.31
LogP (Chemaxon):5.32

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