Chemical ID: 7467944

CC(C)c1ccc(cc1)C=NNC(=O)COc2ccc(cc2Br)C(C)(C)C
Chemical ID:
7467944
Name [?]:
2-(2-bromo-4-tert-butyl-phenoxy)-N-[(4-isopropylphenyl)methyleneamino]acetamide
SMILES [?]:
CC(C)c1ccc(cc1)C=NNC(=O)COc2ccc(cc2Br)C(C)(C)C
InChi [?]:
InChI=1/C22H27BrN2O2/c1-15(2)17-8-6-16(7-9-17)13-24-25-21(26)14-27-20-11-10-18(12-19(20)23)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,25,26,27,6,8,5,9,19,18,21,10,15,2,7,4,20,22,17,13,24,23,11,12,14,16/E:(1,2)(3,4,5)(6,7)(8,9)/rA:27nCCCCCCCCCCNNCOCOCCCCCCBrCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s20;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27BrN2O2
All Atoms:54
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.6281
Area:650.639
Solvation:-5.63786
Coulombic:-27.89
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:431.366
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.7
LogP (Chemaxon):6.63

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