Chemical ID: 4173019

COc1cc(cc(c1O)Br)C=NNC(=O)CN2CCCCCCC2
Chemical ID:
4173019
Name [?]:
2-azocan-1-yl-N-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyleneamino]acetamide
SMILES [?]:
COc1cc(cc(c1O)Br)C=NNC(=O)CN2CCCCCCC2
InChi [?]:
InChI=1/C17H24BrN3O3/c1-24-15-10-13(9-14(18)17(15)23)11-19-20-16(22)12-21-7-5-3-2-4-6-8-21/h9-11,23H,2-8,12H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,18,24,6,4,11,16,5,7,3,14,8,10,12,13,17,15,9,2/E:(3,4)(5,6)(7,8)/rA:24nCOCCCCCCOBrCNNCOCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s5;w11;s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;s22;s17s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24BrN3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.44996
Area:553.315
Solvation:-6.3829
Coulombic:-45.4547
Bond Count [?]
All:25
Single:20
Double:5
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:398.295
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.9
LogP (Chemaxon):2.84

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