Chemical ID: 6621077

COc1ccccc1C=NNC(=O)c2cc(ccc2OCC=C)Br
Chemical ID:
6621077
Name [?]:
2-allyloxy-5-bromo-N-[(2-methoxyphenyl)methyleneamino]benzamide
SMILES [?]:
COc1ccccc1C=NNC(=O)c2cc(ccc2OCC=C)Br
InChi [?]:
InChI=1/C18H17BrN2O3/c1-3-10-24-17-9-8-14(19)11-15(17)18(22)21-20-12-13-6-4-5-7-16(13)23-2/h3-9,11-12H,1,10H2,2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:23,1,22,6,5,7,4,17,18,21,15,9,8,16,14,3,19,12,24,10,11,13,2,20/rA:24nCOCCCCCCCNNCOCCCCCCOCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s21;d22;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17BrN2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.8731
Area:555.712
Solvation:-6.01969
Coulombic:-35.1044
Bond Count [?]
All:25
Single:16
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:389.243
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.24
LogP (Chemaxon):4.27

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