Chemical ID: 4639922

c1cc(ccc1C2CC(n3c(cc(n3)C(=O)N4CCCCC4)N2)C(F)(F)F)Br
Chemical ID:
4639922
Name [?]:
[4-(4-bromophenyl)-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-dien-8-yl]-(1-piperidyl)methanone
SMILES [?]:
c1cc(ccc1C2CC(n3c(cc(n3)C(=O)N4CCCCC4)N2)C(F)(F)F)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20BrF3N4O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:10.997
Area:565.374
Solvation:-3.13736
Coulombic:-54.2426
Bond Count [?]
All:31
Single:25
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:457.288
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.28
LogP (Chemaxon):3.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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