Chemical ID: 4342871

CC1CCN(CC1)C(=O)c2cc3n(n2)C(CC(N3)c4ccccc4)C(F)(F)F
Chemical ID:
4342871
Name [?]:
(4-methyl-1-piperidyl)-[3-phenyl-5-(trifluoromethyl)-2,6,7-triazabicyclo[4.3.0]nona-7,9-dien-8-yl]-methanone
SMILES [?]:
CC1CCN(CC1)C(=O)c2cc3n(n2)C(CC(N3)c4ccccc4)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H23F3N4O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:10.7354
Area:558.432
Solvation:-3.22537
Coulombic:-54.7414
Bond Count [?]
All:31
Single:25
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:392.418
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.99
LogP (Chemaxon):3.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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