Chemical ID: 4269530

COc1ccc(c(c1)C=NNC(=O)c2ccccc2OCc3ccccc3)O
Chemical ID:
4269530
Name [?]:
2-benzyloxy-N-[(2-hydroxy-5-methoxy-phenyl)methyleneamino]benzamide
SMILES [?]:
COc1ccc(c(c1)C=NNC(=O)c2ccccc2OCc3ccccc3)O
InChi [?]:
InChI=1/C22H20N2O4/c1-27-18-11-12-20(25)17(13-18)14-23-24-22(26)19-9-5-6-10-21(19)28-15-16-7-3-2-4-8-16/h2-14,25H,15H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,16,17,23,27,15,18,4,5,8,9,21,22,7,3,14,6,19,12,10,11,28,13,2,20/E:(3,4)(7,8)/rA:28nCOCCCCCCCNNCOCCCCCCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.72132
Area:601.093
Solvation:-7.30599
Coulombic:-50.3837
Bond Count [?]
All:30
Single:19
Double:11
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:376.405
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.13
LogP (Chemaxon):4.23

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