ChemDB: Chemical Search
Download
Chemical ID: 6016892
Chemical ID:
6016892
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-isobutyl-4-(trifluoromethyl)benzamide
SMILES [?]:
CC(C)CN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2)C(=O)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C26H26F4N2O3/c1-18(2)14-32(25(34)20-7-9-21(10-8-20)26(28,29)30)17-24(33)31(16-23-4-3-13-35-23)15-19-5-11-22(27)12-6-19/h3-13,18H,14-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,21,20,12,16,27,31,28,30,13,15,22,4,10,18,6,2,11,26,29,14,19,7,24,32,17,33,34,35,9,5,8,25,23/E:(1,2)(5,6)(7,8)(9,10)(11,12)(28,29,30)/rA:35nCCCCNCCONCCCCCCCFCCCCCOCOCCCCCCCFFF/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;d19;s20;d21;s19s22;s5;d24;s24;s26;d27;s28;d29;d26s30;s29;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26F4N2O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8046 |
Area: | 668.432 |
Solvation: | -5.9062 |
Coulombic: | -64.6697 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 490.49 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.16 |
LogP (Chemaxon): | 5.1 |
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 |
---|