Chemical ID: 4017413

c1cc(cc(c1)NC(=O)N(CCC#N)Cc2cccnc2)C(F)(F)F
Chemical ID:
4017413
Name [?]:
1-(2-cyanoethyl)-1-(3-pyridylmethyl)-3-[3-(trifluoromethyl)phenyl]-urea
SMILES [?]:
c1cc(cc(c1)NC(=O)N(CCC#N)Cc2cccnc2)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H15F3N4O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.47702
Area:546.064
Solvation:-4.17457
Coulombic:-55.2384
Bond Count [?]
All:26
Single:18
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:348.323
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.09
LogP (Chemaxon):3.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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