Chemical ID: 6646856

Cc1cccc(c1)NC(=O)C(=O)NN=Cc2cc(ccc2OCC=C)Br
Chemical ID:
6646856
Name [?]:
N'-[(2-allyloxy-5-bromo-phenyl)methyleneamino]-N-(m-tolyl)oxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)C(=O)NN=Cc2cc(ccc2OCC=C)Br
InChi [?]:
InChI=1/C19H18BrN3O3/c1-3-9-26-17-8-7-15(20)11-14(17)12-21-23-19(25)18(24)22-16-6-4-5-13(2)10-16/h3-8,10-12H,1,9H2,2H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:25,1,24,4,3,5,19,20,23,7,17,15,2,16,18,6,21,9,11,26,14,8,13,10,12,22/rA:26nCCCCCCCNCOCONNCCCCCCCOCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;d24;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18BrN3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.2047
Area:596.661
Solvation:-3.71182
Coulombic:-53.896
Bond Count [?]
All:27
Single:17
Double:10
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:416.269
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.79
LogP (Chemaxon):4.73

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