Название: (6S, 8S)-8-(4-methoxybenzylthio)-4-methyl-5-oxo-1,4-diazabicyclo-[4.3.0]nonane
SMILES:
COc1ccc(CS[C@H]2C[C@H]3C(=O)N(C)CCN3C2)cc1Molecular Processing
Molecular formula
C16H22N2O2S
Molecular weight
306.43
Exact mass
306.1402
XLogP
1.84
TPSA
32.78
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
85.69
Supplementary Information
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