CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1Nc1nc(Cl)c(C#N)cc1F
Name: tert-butyl cis-2-(6-chloro-5-cyano-3-fluoropyridin-2-ylamino)cyclohexylcarbamate
SMILES: CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1Nc1nc(Cl)c(C#N)cc1F

Molecular Processing

Molecular formula
C17H22ClFN4O2
Molecular weight
368.84
Exact mass
368.1415
XLogP
3.99
TPSA
87.04
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
92.96

Supplementary Information

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