ChemDB: Chemical Search
Download
Chemical ID: 6883691
Chemical ID:
6883691
Name [?]:
ethyl 4-[2-(4-bromobenzoyl)oxyacetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C18H16BrNO5/c1-2-24-17(22)13-5-9-15(10-6-13)20-16(21)11-25-18(23)12-3-7-14(19)8-4-12/h3-10H,2,11H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,20,24,7,11,21,23,8,10,15,19,6,22,9,13,4,17,25,12,14,5,18,3,16/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCOCOCCCCCCNCOCOCOCCCCCCBr/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16BrNO5 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0503 |
Area: | 599.362 |
Solvation: | -3.93377 |
Coulombic: | -61.2324 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 406.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.36 |
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 |
---|