Chemical ID: 6882984

c1ccc(cc1)Oc2ccc(cc2)NC(=O)COc3ccc(cc3)C(=O)Nc4cccc(c4)C(F)(F)F
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue