Chemical ID: 7468140

CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=C2CCCc3c2cccc3
Chemical ID:
7468140
Name [?]:
2-(2-bromo-4-tert-butyl-phenoxy)-N-tetralin-1-ylideneamino-acetamide
SMILES [?]:
CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=C2CCCc3c2cccc3
InChi [?]:
InChI=1/C22H25BrN2O2/c1-22(2,3)16-11-12-20(18(23)13-16)27-14-21(26)25-24-19-10-6-8-15-7-4-5-9-17(15)19/h4-5,7,9,11-13H,6,8,10,14H2,1-3H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,26,25,20,27,21,24,19,6,7,10,13,22,5,23,9,18,8,14,2,11,17,16,15,12/E:(1,2,3)/rA:27nCCCCCCCCCCBrOCCONNCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s8;s12;s13;d14;s14;s16;w17;s18;s19;s20;s21;s18s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25BrN2O2
All Atoms:52
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.91621
Area:619.14
Solvation:-5.56228
Coulombic:-27.4601
Bond Count [?]
All:29
Single:21
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:429.35
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.68
LogP (Chemaxon):5.66

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