Chemical ID: 6410348

C=CCOc1ccc(cc1C=NNC(=O)COc2cccc(c2)Cl)Br
Chemical ID:
6410348
Name [?]:
N-[(2-allyloxy-5-bromo-phenyl)methyleneamino]-2-(3-chlorophenoxy)-acetamide
SMILES [?]:
C=CCOc1ccc(cc1C=NNC(=O)COc2cccc(c2)Cl)Br
InChi [?]:
InChI=1/C18H16BrClN2O3/c1-2-8-24-17-7-6-14(19)9-13(17)11-21-22-18(23)12-25-16-5-3-4-15(20)10-16/h2-7,9-11H,1,8,12H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,19,7,6,3,9,23,11,16,10,8,22,18,5,14,25,24,12,13,15,4,17/rA:25nCCCOCCCCCCCNNCOCOCCCCCCClBr/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16BrClN2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.99262
Area:611.552
Solvation:-6.29619
Coulombic:-35.2206
Bond Count [?]
All:26
Single:17
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:423.688
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.63
LogP (Chemaxon):4.81

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