ChemDB: Chemical Search
Download
Chemical ID: 5869187
Chemical ID:
5869187
Name [?]:
(4-benzyloxy-3-methoxy-phenyl)-morpholino-methanone
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)C(=O)N3CCOCC3
InChi [?]:
InChI=1/C19H21NO4/c1-22-18-13-16(19(21)20-9-11-23-12-10-20)7-8-17(18)24-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,6,7,20,24,21,23,4,10,11,5,8,3,17,19,18,2,22,9/E:(3,4)(5,6)(9,10)(11,12)/rA:24nCOCCCCCCOCCCCCCCCONCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;d17;s17;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.73443 |
Area: | 538.966 |
Solvation: | -6.73973 |
Coulombic: | -40.3575 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 327.374 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.44 |
LogP (Chemaxon): | 2.12 |
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 |
---|