Chemical ID: 4298129

C=CCOc1cccc(c1)C=NNC(=O)C(=O)Nc2cccc(c2)Br
Chemical ID:
4298129
Name [?]:
N-[(3-allyloxyphenyl)methyleneamino]-N'-(3-bromophenyl)-oxamide
SMILES [?]:
C=CCOc1cccc(c1)C=NNC(=O)C(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C18H16BrN3O3/c1-2-9-25-16-8-3-5-13(10-16)12-20-22-18(24)17(23)21-15-7-4-6-14(19)11-15/h2-8,10-12H,1,9H2,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,7,21,8,22,20,6,3,10,24,11,9,23,19,5,16,14,25,12,18,13,17,15,4/rA:25nCCCOCCCCCCCNNCOCONCCCCCCBr/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16BrN3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.8473
Area:588.72
Solvation:-3.87068
Coulombic:-53.8244
Bond Count [?]
All:26
Single:16
Double:10
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:402.242
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.35
LogP (Chemaxon):4.26

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue