Chemical ID: 7038021

CC(C)COc1ccc(cc1OC)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
Chemical ID:
7038021
Name [?]:
2-fluoro-N-[(2-fluorobenzoyl)amino-(4-isobutoxy-3-methoxy-phenyl)-methyl]-benzamide
SMILES [?]:
CC(C)COc1ccc(cc1OC)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C26H26F2N2O4/c1-16(2)15-34-22-13-12-17(14-23(22)33-3)24(29-25(31)18-8-4-6-10-20(18)27)30-26(32)19-9-5-7-11-21(19)28/h4-14,16,24H,15H2,1-3H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,3,13,20,30,21,31,19,29,22,32,8,7,10,4,2,9,18,28,23,33,6,11,14,16,26,24,34,15,25,17,27,12,5/E:(1,2)(4,5)(6,7)(8,9)(10,11)(18,19)(20,21)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:34nCCCCOCCCCCCOCCNCOCCCCCCFNCOCCCCCCF/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s14;s25;d26;s26;s28;d29;s30;d31;d28s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26F2N2O4
All Atoms:60
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:7.79505
Area:707.618
Solvation:-9.8954
Coulombic:-64.5468
Bond Count [?]
All:36
Single:25
Double:11
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:468.493
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.56
LogP (Chemaxon):4.81

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