Chemical ID: 7467949

CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=Cc2cccc3c2cccc3
Chemical ID:
7467949
Name [?]:
2-(2-bromo-4-tert-butyl-phenoxy)-N-(1-naphthylmethyleneamino)acetamide
SMILES [?]:
CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=Cc2cccc3c2cccc3
InChi [?]:
InChI=1/C23H23BrN2O2/c1-23(2,3)18-11-12-21(20(24)13-18)28-15-22(27)26-25-14-17-9-6-8-16-7-4-5-10-19(16)17/h4-14H,15H2,1-3H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,3,4,27,26,21,28,22,20,25,6,7,10,18,13,23,19,5,24,9,8,14,2,11,17,16,15,12/E:(1,2,3)/rA:28nCCCCCCCCCCBrOCCONNCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s8;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23BrN2O2
All Atoms:51
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.90923
Area:626.427
Solvation:-5.75144
Coulombic:-28.3895
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:439.345
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.56
LogP (Chemaxon):6.44

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