ChemDB: Chemical Search
Download
Chemical ID: 4286865
Chemical ID:
4286865
Name [?]:
N'-[(3-bromophenyl)methyleneamino]-N-(4-chloro-2-methyl-phenyl)-oxamide
SMILES [?]:
Cc1cc(ccc1NC(=O)C(=O)NN=Cc2cccc(c2)Br)Cl
InChi [?]:
InChI=1/C16H13BrClN3O2/c1-10-7-13(18)5-6-14(10)20-15(22)16(23)21-19-9-11-3-2-4-12(17)8-11/h2-9H,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,5,6,3,21,15,2,16,20,4,7,9,11,22,23,14,8,13,10,12/rA:23nCCCCCCCNCOCONNCCCCCCCBrCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13BrClN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2787 |
Area: | 553.717 |
Solvation: | -2.56423 |
Coulombic: | -45.5552 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 394.65 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.67 |
LogP (Chemaxon): | 4.11 |
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 |
---|