CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1cnc(C#N)c(Br)c1
Name: tert-butyl (1S,2R)-2-(5-bromo-6-cyanopyridin-3-ylamino)cyclohexylcarbamate
SMILES: CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1cnc(C#N)c(Br)c1

Molecular Processing

Molecular formula
C17H23BrN4O2
Molecular weight
395.3
Exact mass
394.1004
XLogP
3.96
TPSA
87.04
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
95.69

Supplementary Information

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