Chemical ID: 7467869

CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=Cc2ccc(cc2)OC
Chemical ID:
7467869
Name [?]:
2-(2-bromo-4-tert-butyl-phenoxy)-N-[(4-methoxyphenyl)methyleneamino]acetamide
SMILES [?]:
CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=Cc2ccc(cc2)OC
InChi [?]:
InChI=1/C20H23BrN2O3/c1-20(2,3)15-7-10-18(17(21)11-15)26-13-19(24)23-22-12-14-5-8-16(25-4)9-6-14/h5-12H,13H2,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,26,20,24,6,21,23,7,10,18,13,19,5,22,9,8,14,2,11,17,16,15,25,12/E:(1,2,3)(5,6)(8,9)/rA:26nCCCCCCCCCCBrOCCONNCCCCCCCOC/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23BrN2O3
All Atoms:49
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.48189
Area:622.893
Solvation:-7.09043
Coulombic:-33.5391
Bond Count [?]
All:27
Single:19
Double:8
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:419.312
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.21
LogP (Chemaxon):5.18

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