CC(C)(C)OC(=O)N1CCCC(O)(c2cccc(Br)n2)CC1
Nom: tert-butyl 4-(6-bromopyridin-2-yl)-4-hydroxyazepane-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCCC(O)(c2cccc(Br)n2)CC1

Molecular Processing

Molecular formula
C16H23BrN2O3
Molecular weight
371.28
Exact mass
370.0892
XLogP
3.45
TPSA
62.66
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
87.49

Supplementary Information

Récupération des détails…

Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→