Chemical ID: 7479270

CCOc1ccccc1C=NNC(=O)c2ccc(cc2)OCc3ccccc3
Chemical ID:
7479270
Name [?]:
4-benzyloxy-N-[(2-ethoxyphenyl)methyleneamino]benzamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)c2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C23H22N2O3/c1-2-27-22-11-7-6-10-20(22)16-24-25-23(26)19-12-14-21(15-13-19)28-17-18-8-4-3-5-9-18/h3-16H,2,17H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,7,6,24,28,8,5,16,20,17,19,10,22,23,15,9,18,4,13,11,12,14,3,21/E:(4,5)(8,9)(12,13)(14,15)/rA:28nCCOCCCCCCCNNCOCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N2O3
All Atoms:50
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.83182
Area:625.683
Solvation:-6.81025
Coulombic:-35.0148
Bond Count [?]
All:30
Single:19
Double:11
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:374.432
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.96
LogP (Chemaxon):4.86

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