ChemDB: Chemical Search
Download
Chemical ID: 6882984
Chemical ID:
6882984
Name [?]:
4-[(4-phenoxyphenyl)carbamoylmethoxy]-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)NC(=O)COc3ccc(cc3)C(=O)Nc4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C28H21F3N2O4/c29-28(30,31)20-5-4-6-22(17-20)33-27(35)19-9-13-23(14-10-19)36-18-26(34)32-21-11-15-25(16-12-21)37-24-7-2-1-3-8-24/h1-17H,18H2,(H,32,34)(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,2,6,30,31,29,3,5,21,23,10,12,20,24,9,13,33,17,22,32,11,28,19,4,8,15,25,34,35,36,37,14,27,16,26,18,7/E:(2,3)(7,8)(9,10)(11,12)(13,14)(15,16)(29,30,31)/rA:37nCCCCCCOCCCCCCNCOCOCCCCCCCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;s27;s28;d29;s30;d31;d28s32;s32;s34;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H21F3N2O4 |
All Atoms: | 58 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6631 |
Area: | 742.211 |
Solvation: | -6.89219 |
Coulombic: | -76.834 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 506.473 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.05 |
LogP (Chemaxon): | 6.24 |
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 |
---|