Name: [(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid (1R)-3H-spiro[2-benzofuran-1,3′-pyrrolidin]-3-one
SMILES:
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)C(=O)C2.O=C1O[C@]2(CCNC2)c2ccccc21Molecular Processing
Molecular formula
C21H27NO6S
Molecular weight
421.52
Exact mass
421.1559
XLogP
2.32
TPSA
109.77
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
29
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.619
Molar refractivity
106
Supplementary Information
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