Chemical ID: 6626762

C=CCOc1ccc(cc1C=NNC(=O)COc2cccc(c2Cl)Cl)Br
Chemical ID:
6626762
Name [?]:
N-[(2-allyloxy-5-bromo-phenyl)methyleneamino]-2-(2,3-dichlorophenoxy)-acetamide
SMILES [?]:
C=CCOc1ccc(cc1C=NNC(=O)COc2cccc(c2Cl)Cl)Br
InChi [?]:
InChI=1/C18H15BrCl2N2O3/c1-2-8-25-15-7-6-13(19)9-12(15)10-22-23-17(24)11-26-16-5-3-4-14(20)18(16)21/h2-7,9-10H,1,8,11H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,19,7,6,3,9,11,16,10,8,22,5,18,14,23,26,25,24,12,13,15,4,17/rA:26nCCCOCCCCCCCNNCOCOCCCCCCClClBr/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s22;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15BrCl2N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.16276
Area:633.603
Solvation:-6.67731
Coulombic:-35.2669
Bond Count [?]
All:27
Single:18
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:458.133
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.25
LogP (Chemaxon):5.33

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