ChemDB: Chemical Search
Download
Chemical ID: 6182210
Chemical ID:
6182210
Name [?]:
N-[(2,5-dimethoxyphenyl)methyleneaminocarbamoylmethyl]-3,5-dimethoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)C=NNC(=O)CNC(=O)c2cc(cc(c2)OC)OC)OC
InChi [?]:
InChI=1/C20H23N3O6/c1-26-15-5-6-18(29-4)14(9-15)11-22-23-19(24)12-21-20(25)13-7-16(27-2)10-17(8-13)28-3/h5-11H,12H2,1-4H3,(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,27,29,4,5,23,19,8,21,9,14,18,7,3,22,20,6,12,16,15,10,11,13,17,2,24,26,28/E:(2,3)(7,8)(16,17)(27,28)/rA:29nCOCCCCCCCNNCOCNCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s20;s26;s6;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O6 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.395 |
Area: | 648.766 |
Solvation: | -8.82413 |
Coulombic: | -66.7467 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 401.413 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 2.83 |
LogP (Chemaxon): | 1.16 |
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 |
---|