ChemDB: Chemical Search
Download
Chemical ID: 6621143
Chemical ID:
6621143
Name [?]:
5-bromo-2-methoxy-N-[(4-methoxyphenyl)methyleneamino]benzamide
SMILES [?]:
COc1ccc(cc1)C=NNC(=O)c2cc(ccc2OC)Br
InChi [?]:
InChI=1/C16H15BrN2O3/c1-21-13-6-3-11(4-7-13)10-18-19-16(20)14-9-12(17)5-8-15(14)22-2/h3-10H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,5,7,17,4,8,18,15,9,6,16,3,14,19,12,22,10,11,13,2,20/E:(3,4)(6,7)/rA:22nCOCCCCCCCNNCOCCCCCCOCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15BrN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.32478 |
Area: | 506.694 |
Solvation: | -6.34257 |
Coulombic: | -32.4862 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 363.206 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.62 |
LogP (Chemaxon): | 3.53 |
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 |
---|