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Chemical ID: 6646856
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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