ChemDB: Chemical Search
Download
Chemical ID: 4158667
Chemical ID:
4158667
Name [?]:
[4-(p-tolylcarbamoyl)phenyl] 2-(2,5-dimethylphenoxy)acetate
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2ccc(cc2)OC(=O)COc3cc(ccc3C)C
InChi [?]:
InChI=1/C24H23NO4/c1-16-5-10-20(11-6-16)25-24(27)19-8-12-21(13-9-19)29-23(26)15-28-22-14-17(2)4-7-18(22)3/h4-14H,15H2,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,29,28,25,3,7,26,12,16,4,6,13,15,23,20,2,24,27,11,5,14,22,18,9,8,19,10,21,17/E:(5,6)(8,9)(10,11)(12,13)/rA:29nCCCCCCCNCOCCCCCCOCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7466 |
Area: | 647.754 |
Solvation: | -4.44727 |
Coulombic: | -49.4319 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 389.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.01 |
LogP (Chemaxon): | 5.51 |
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 |
---|