Chemical ID: 7522633

Cc1ccc(c(c1)OCC(=O)Nc2ncc(s2)Cc3ccc(cc3)Br)C
Chemical ID:
7522633
Name [?]:
N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-2-(2,5-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ncc(s2)Cc3ccc(cc3)Br)C
InChi [?]:
InChI=1/C20H19BrN2O2S/c1-13-3-4-14(2)18(9-13)25-12-19(24)23-20-22-11-17(26-20)10-15-5-7-16(21)8-6-15/h3-9,11H,10,12H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,26,3,4,20,24,21,23,7,18,15,9,2,5,19,22,16,6,10,13,25,14,12,11,8,17/E:(5,6)(7,8)/rA:26nCCCCCCCOCCONCNCCSCCCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19BrN2O2S
All Atoms:45
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.2923
Area:616.518
Solvation:-5.12064
Coulombic:-33.9571
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.09
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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