ChemDB: Chemical Search
Download
Chemical ID: 6883684
Chemical ID:
6883684
Name [?]:
ethyl 4-[2-(4-phenylbenzoyl)oxyacetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C24H21NO5/c1-2-29-23(27)20-12-14-21(15-13-20)25-22(26)16-30-24(28)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,28,27,29,26,30,21,23,20,24,7,11,8,10,15,25,22,19,6,9,13,4,17,12,14,5,18,3,16/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:30nCCOCOCCCCCCNCOCOCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21NO5 |
All Atoms: | 51 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5285 |
Area: | 673.2 |
Solvation: | -4.30151 |
Coulombic: | -62.9754 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 403.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.99 |
LogP (Chemaxon): | 4.25 |
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 |
---|