ChemDB: Chemical Search
Download
Chemical ID: 5572349
Chemical ID:
5572349
Name [?]:
(2,6-diethylphenyl)carbamoylmethyl 4-benzyloxybenzoate
SMILES [?]:
CCc1cccc(c1NC(=O)COC(=O)c2ccc(cc2)OCc3ccccc3)CC
InChi [?]:
InChI=1/C26H27NO4/c1-3-20-11-8-12-21(4-2)25(20)27-24(28)18-31-26(29)22-13-15-23(16-14-22)30-17-19-9-6-5-7-10-19/h5-16H,3-4,17-18H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,31,2,30,27,26,28,5,25,29,4,6,17,21,18,20,23,12,24,3,7,16,19,10,8,14,9,11,15,22,13/E:(1,2)(3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(20,21)/rA:31nCCCCCCCCNCOCOCOCCCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;s7;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27NO4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3823 |
Area: | 692.27 |
Solvation: | -4.92444 |
Coulombic: | -50.7862 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 417.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.7 |
LogP (Chemaxon): | 4.63 |
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 |
---|