C1C2CC3CN(C2)CC1CN3C4=CC(=CN=C4)Br
Name: 4-(5-bromo-3-pyridinyl)-1,4-diazatricyclo[4.3.1.13,8]undecane
SMILES: C1C2CC3CN(C2)CC1CN3C4=CC(=CN=C4)Br

Molecular Processing

Molecular formula
C14H18BrN3
Molecular weight
308.22
Exact mass
307.0684
XLogP
2.37
TPSA
19.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
75.73

Supplementary Information

InChIKey: CUGIMZRYIHWPSB-UHFFFAOYSA-N
Synonyms
CUGIMZRYIHWPSB-UHFFFAOYSA-N4-(5-Bromopyridin-3-yl)-1,4-diazatricyclo[4.3.1.13,8]undecane
View source →
Involved in 36 reactions→

Extended Search

Substructure Search→Similarity Search→