ChemDB: Chemical Search
Download
Chemical ID: 6646677
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|