ChemDB: Chemical Search
Download
Chemical ID: 6559673
Chemical ID:
6559673
Name [?]:
methyl 4-[4-[(3-acetylphenyl)carbamoylmethoxy]phenyl]benzoate
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)COc2ccc(cc2)c3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C24H21NO5/c1-16(26)20-4-3-5-21(14-20)25-23(27)15-30-22-12-10-18(11-13-22)17-6-8-19(9-7-17)24(28)29-2/h3-14H,15H2,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,30,6,5,7,22,26,23,25,17,19,16,20,9,13,2,21,18,24,4,8,15,11,27,10,3,12,28,29,14/E:(6,7)(8,9)(10,11)(12,13)/rA:30nCCOCCCCCCNCOCOCCCCCCCCCCCCCOOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s23;d24;d21s25;s24;d27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21NO5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.80447 |
Area: | 663.654 |
Solvation: | -6.78687 |
Coulombic: | -55.715 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 403.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.39 |
LogP (Chemaxon): | 3.42 |
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 |
---|