Название: (2S,4S)-2-[4-(2-hydroxyethyl)piperazinylcarbonyl]-4-(4-methoxybenzylthio)-1-(4-nitrobenzyloxycarbonyl)pyrrolidine
SMILES:
COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CCN(CCO)CC3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1Molecular Processing
Molecular formula
C27H34N4O7S
Molecular weight
558.66
Exact mass
558.2148
XLogP
2.75
TPSA
125.69
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
39
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
146.58
Supplementary Information
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