Название: (2S,4S)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxamide
SMILES:
COC1=CC=C(C=C1)CSC2CC(NC2)C(=O)NMolecular Processing
Molecular formula
C13H18N2O2S
Molecular weight
266.37
Exact mass
266.1089
XLogP
1.14
TPSA
64.35
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
73.68
Supplementary Information
InChIKey: IJCZRVIFFFHYIE-RYUDHWBXSA-N
Синонимы
IJCZRVIFFFHYIE-RYUDHWBXSA-N(2S, 4S)-2-Carbamoyl-4-(4-methoxybenzylthio)-pyrrolidine(2S, 4S)-2-carbamoyl-4-(4-methoxybenzylthio)pyrrolidine
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