Название: 2-amino-N-(3-cyano-1-cyclohexyl-pyrrolidin-3-yl)-3-cyclohexyl-propionamide bis hydrochloride salt
SMILES:
Cl.Cl.N#CC1(NC(=O)C(N)CC2CCCCC2)CCN(C2CCCCC2)C1Molecular Processing
Molecular formula
C20H36Cl2N4O
Molecular weight
419.44
Exact mass
418.2266
XLogP
3.54
TPSA
82.15
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
3
Fraction Csp3
0.9
Molar refractivity
113.21
Supplementary Information
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