Chemical ID: 6445906

COc1ccc(cc1C(=O)NN=Cc2cc(ccc2OCC=C)Br)Br
Chemical ID:
6445906
Name [?]:
N-[(2-allyloxy-5-bromo-phenyl)methyleneamino]-5-bromo-2-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1C(=O)NN=Cc2cc(ccc2OCC=C)Br)Br
InChi [?]:
InChI=1/C18H16Br2N2O3/c1-3-8-25-16-6-4-13(19)9-12(16)11-21-22-18(23)15-10-14(20)5-7-17(15)24-2/h3-7,9-11H,1,8H2,2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:23,1,22,17,5,18,4,21,15,7,13,14,16,6,8,19,3,9,24,25,12,11,10,2,20/rA:25nCOCCCCCCCONNCCCCCCCOCCCBrBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;d22;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16Br2N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.20225
Area:567.744
Solvation:-5.99135
Coulombic:-34.5811
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:468.139
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.03
LogP (Chemaxon):5.06

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