Chemical ID: 4726488

CC(C)N(C1CCCCC1)C(=O)Nc2cccc(c2)C(F)(F)F
Chemical ID:
4726488
Name [?]:
1-cyclohexyl-1-isopropyl-3-[3-(trifluoromethyl)phenyl]-urea
SMILES [?]:
CC(C)N(C1CCCCC1)C(=O)Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C17H23F3N2O/c1-12(2)22(15-9-4-3-5-10-15)16(23)21-14-8-6-7-13(11-14)17(18,19)20/h6-8,11-12,15H,3-5,9-10H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,9,16,17,15,6,10,19,2,18,14,5,11,20,21,22,23,13,4,12/E:(1,2)(4,5)(9,10)(18,19,20)/rA:23nCCCNCCCCCCCONCCCCCCCFFF/rB:s1;s2;s2;s4;s5;s6;s7;s8;s5s9;s4;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23F3N2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4255
Area:502.128
Solvation:-2.12768
Coulombic:-50.3067
Bond Count [?]
All:24
Single:20
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:328.373
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.69
LogP (Chemaxon):4.82

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