Chemical ID: 5597916

COc1ccc(cc1)C(=O)NN=Cc2ccccc2OCc3cccc(c3)Br
Chemical ID:
5597916
Name [?]:
N-[[2-[(3-bromophenyl)methoxy]phenyl]methyleneamino]-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)NN=Cc2ccccc2OCc3cccc(c3)Br
InChi [?]:
InChI=1/C22H19BrN2O3/c1-27-20-11-9-17(10-12-20)22(26)25-24-14-18-6-2-3-8-21(18)28-15-16-5-4-7-19(23)13-16/h2-14H,15H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,16,17,24,23,15,25,18,5,7,4,8,27,13,21,22,6,14,26,3,19,9,28,12,11,10,2,20/E:(9,10)(11,12)/rA:28nCOCCCCCCCONNCCCCCCCOCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19BrN2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.1847
Area:625.112
Solvation:-5.44314
Coulombic:-36.6107
Bond Count [?]
All:30
Single:19
Double:11
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:439.302
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.33
LogP (Chemaxon):5.31

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