ChemDB: Chemical Search
Download
Chemical ID: 7479287
Chemical ID:
7479287
Name [?]:
4-benzyloxy-N-[1-(p-tolyl)ethylideneamino]benzamide
SMILES [?]:
Cc1ccc(cc1)C(=NNC(=O)c2ccc(cc2)OCc3ccccc3)C
InChi [?]:
InChI=1/C23H22N2O2/c1-17-8-10-20(11-9-17)18(2)24-25-23(26)21-12-14-22(15-13-21)27-16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,24,23,25,22,26,3,7,4,6,14,18,15,17,20,2,8,21,5,13,16,11,9,10,12,19/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:27nCCCCCCCCNNCOCCCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;d22;s23;d24;d21s25;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O2 |
All Atoms: | 49 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8672 |
Area: | 620.641 |
Solvation: | -4.64882 |
Coulombic: | -29.6357 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 358.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.2 |
LogP (Chemaxon): | 4.87 |
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 |
---|