Chemical ID: 6016892

CC(C)CN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2)C(=O)c3ccc(cc3)C(F)(F)F
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.

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