Chemical ID: 5874000

c1ccc(cc1)Oc2cccc(c2)CN(CCN3CCOCC3)C(=O)Nc4cccc(c4)C(F)(F)F
Chemical ID:
5874000
Name [?]:
1-(2-morpholinoethyl)-1-[(3-phenoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-urea
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)CN(CCN3CCOCC3)C(=O)Nc4cccc(c4)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H28F3N3O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:12.8127
Area:726.413
Solvation:-5.34767
Coulombic:-72.0368
Bond Count [?]
All:39
Single:29
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:499.525
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.63
LogP (Chemaxon):5.32

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