ChemDB: Chemical Search
Download
Chemical ID: 5755819
Chemical ID:
5755819
Name [?]:
2-(4-allyl-2-methoxy-phenoxy)-N-[(3,4-dimethoxyphenyl)methyleneamino]acetamide
SMILES [?]:
COc1ccc(cc1OC)C=NNC(=O)COc2ccc(cc2OC)CC=C
InChi [?]:
InChI=1/C21H24N2O5/c1-5-6-15-7-10-18(20(11-15)27-4)28-14-21(24)23-22-13-16-8-9-17(25-2)19(12-16)26-3/h5,7-13H,1,6,14H2,2-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:28,1,10,25,27,26,20,5,4,19,22,7,11,16,21,6,3,18,8,23,14,12,13,15,2,9,24,17/rA:28nCOCCCCCCOCCNNCOCOCCCCCCOCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s21;s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.77235 |
Area: | 644.525 |
Solvation: | -11.3408 |
Coulombic: | -46.6487 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 384.426 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.18 |
LogP (Chemaxon): | 3.3 |
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 |
---|