ChemDB: Chemical Search
Download
Chemical ID: 7484152
Chemical ID:
7484152
Name [?]:
2-benzyloxy-N-[(4-bromophenyl)methyleneamino]benzamide
SMILES [?]:
c1ccc(cc1)COc2ccccc2C(=O)NN=Cc3ccc(cc3)Br
InChi [?]:
InChI=1/C21H17BrN2O2/c22-18-12-10-16(11-13-18)14-23-24-21(25)19-8-4-5-9-20(19)26-15-17-6-2-1-3-7-17/h1-14H,15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,3,5,13,10,21,25,22,24,19,7,20,4,23,14,9,15,26,18,17,16,8/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCCOCCCCCCCONNCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17BrN2O2 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.54928 |
Area: | 603.662 |
Solvation: | -5.54228 |
Coulombic: | -28.6635 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 409.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.42 |
LogP (Chemaxon): | 5.56 |
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 |
---|