Name: 1,1-dimethylethyl (3S)-4-[(4-cyano-2-methylphenyl)sulfonyl]-3-methyl-1-piperazinecarboxylate
SMILES:
Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CMolecular Processing
Molecular formula
C18H25N3O4S
Molecular weight
379.48
Exact mass
379.1566
XLogP
2.5
TPSA
90.71
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
97.05
Supplementary Information
Details werden geladen…
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