Chemical ID: 7468073

CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=Cc2ccccc2
Chemical ID:
7468073
Name [?]:
N-benzylideneamino-2-(2-bromo-4-tert-butyl-phenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=Cc2ccccc2
InChi [?]:
InChI=1/C19H21BrN2O2/c1-19(2,3)15-9-10-17(16(20)11-15)24-13-18(23)22-21-12-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,22,21,23,20,24,6,7,10,18,13,19,5,9,8,14,2,11,17,16,15,12/E:(1,2,3)(5,6)(7,8)/rA:24nCCCCCCCCCCBrOCCONNCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s8;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21BrN2O2
All Atoms:45
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.95523
Area:584.598
Solvation:-5.65973
Coulombic:-27.497
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:389.286
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.29
LogP (Chemaxon):5.44

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