ChemDB: Chemical Search
Download
Chemical ID: 7038065
Chemical ID:
7038065
Name [?]:
2-fluoro-N-[(2-fluorobenzoyl)amino-(4-hexoxy-3-methoxy-phenyl)-methyl]-benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C28H30F2N2O4/c1-3-4-5-10-17-36-24-16-15-19(18-25(24)35-2)26(31-27(33)20-11-6-8-13-22(20)29)32-28(34)21-12-7-9-14-23(21)30/h6-9,11-16,18,26H,3-5,10,17H2,1-2H3,(H,31,33)(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,15,2,3,4,22,32,23,33,5,21,31,24,34,10,9,6,12,11,20,30,25,35,8,13,16,18,28,26,36,17,27,19,29,14,7/E:(6,7)(8,9)(11,12)(13,14)(20,21)(22,23)(27,28)(29,30)(31,32)(33,34)/gE:(1,2)/rA:36nCCCCCCOCCCCCCOCCNCOCCCCCCFNCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s16;s27;d28;s28;s30;d31;s32;d33;d30s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H30F2N2O4 |
All Atoms: | 66 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16471 |
Area: | 764.143 |
Solvation: | -9.93886 |
Coulombic: | -65.1503 |
Bond Count [?]
All: | 38 |
Single: | 27 |
Double: | 11 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 496.546 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.97 |
LogP (Chemaxon): | 5.6 |
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 |
---|