Chemical ID: 6646677

Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2cc(ccc2OCC=C)Br
Chemical ID:
6646677
Name [?]:
N'-[(2-allyloxy-5-bromo-phenyl)methyleneamino]-N-(3-chloro-2-methyl-phenyl)-oxamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2cc(ccc2OCC=C)Br
InChi [?]:
InChI=1/C19H17BrClN3O3/c1-3-9-27-17-8-7-14(20)10-13(17)11-22-24-19(26)18(25)23-16-6-4-5-15(21)12(16)2/h3-8,10-11H,1,9H2,2H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:26,1,25,5,6,4,20,21,24,18,16,2,17,19,7,3,22,10,12,27,8,15,9,14,11,13,23/rA:27nCCCCCCCClNCOCONNCCCCCCCOCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s24;d25;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17BrClN3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.9426
Area:620.944
Solvation:-3.58094
Coulombic:-54.1962
Bond Count [?]
All:28
Single:18
Double:10
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:450.713
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.2
LogP (Chemaxon):4.59

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