이름: (2S,4S)-2-carbamoyl-4-(4-methoxybenzylthio)pyrrolidine hydrochloride
SMILES:
COc1ccc(CS[C@@H]2CN[C@H](C(N)=O)C2)cc1.ClMolecular Processing
Molecular formula
C13H19ClN2O2S
Molecular weight
302.83
Exact mass
302.0856
XLogP
1.57
TPSA
64.35
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.462
Molar refractivity
80.93
Supplementary Information
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