Chemical ID: 7467872

CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=Cc2ccc(cc2)O
Chemical ID:
7467872
Name [?]:
2-(2-bromo-4-tert-butyl-phenoxy)-N-[(4-hydroxyphenyl)methyleneamino]acetamide
SMILES [?]:
CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=Cc2ccc(cc2)O
InChi [?]:
InChI=1/C19H21BrN2O3/c1-19(2,3)14-6-9-17(16(20)10-14)25-12-18(24)22-21-11-13-4-7-15(23)8-5-13/h4-11,23H,12H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,20,24,6,21,23,7,10,18,13,19,5,22,9,8,14,2,11,17,16,25,15,12/E:(1,2,3)(4,5)(7,8)/rA:25nCCCCCCCCCCBrOCCONNCCCCCCCO/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:C19H21BrN2O3
All Atoms:46
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.48465
Area:601.765
Solvation:-6.55948
Coulombic:-42.4226
Bond Count [?]
All:26
Single:18
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:405.286
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.88
LogP (Chemaxon):5.15

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