Chemical ID: 6620973

C=CCOc1ccccc1C=NNC(=O)c2cc(ccc2OCC=C)Br
Chemical ID:
6620973
Name [?]:
2-allyloxy-N-[(2-allyloxyphenyl)methyleneamino]-5-bromo-benzamide
SMILES [?]:
C=CCOc1ccccc1C=NNC(=O)c2cc(ccc2OCC=C)Br
InChi [?]:
InChI=1/C20H19BrN2O3/c1-3-11-25-18-8-6-5-7-15(18)14-22-23-20(24)17-13-16(21)9-10-19(17)26-12-4-2/h3-10,13-14H,1-2,11-12H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,8,7,9,6,19,20,3,23,17,11,10,18,16,5,21,14,26,12,13,15,4,22/rA:26nCCCOCCCCCCCNNCOCCCCCCOCCCBr/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;s23;d24;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19BrN2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.2164
Area:606.53
Solvation:-5.94685
Coulombic:-37.0205
Bond Count [?]
All:27
Single:17
Double:10
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:415.281
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.85
LogP (Chemaxon):5.01

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