Chemical ID: 4559961

CC1(CC2CC(C1)(CN2C(=O)C=Cc3ccc(cc3)OC)C)C
Chemical ID:
4559961
Name [?]:
3-(4-methoxyphenyl)-1-(3,3,5-trimethyl-7-azabicyclo[3.2.1]oct-7-yl)-prop-2-en-1-one
SMILES [?]:
CC1(CC2CC(C1)(CN2C(=O)C=Cc3ccc(cc3)OC)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H27NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:9.10378
Area:500.33
Solvation:-3.40448
Coulombic:-25.5278
Bond Count [?]
All:25
Single:20
Double:5
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:313.434
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.55
LogP (Chemaxon):3.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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