Chemical ID: 7467875

CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=Cc2ccc(cc2)Br
Chemical ID:
7467875
Name [?]:
N-[(4-bromophenyl)methyleneamino]-2-(2-bromo-4-tert-butyl-phenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=Cc2ccc(cc2)Br
InChi [?]:
InChI=1/C19H20Br2N2O2/c1-19(2,3)14-6-9-17(16(21)10-14)25-12-18(24)23-22-11-13-4-7-15(20)8-5-13/h4-11H,12H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,20,24,6,21,23,7,10,18,13,19,5,22,9,8,14,2,25,11,17,16,15,12/E:(1,2,3)(4,5)(7,8)/rA:25nCCCCCCCCCCBrOCCONNCCCCCCCBr/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s8;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20Br2N2O2
All Atoms:45
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.80117
Area:616.038
Solvation:-5.59976
Coulombic:-27.2678
Bond Count [?]
All:26
Single:18
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:468.182
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.09
LogP (Chemaxon):6.23

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