Name: trans-Methanesulfonic acid 3-[4-(tert-butoxycarbonyl-methyl-amino)-cyclohexyl]-prop-2-ynyl ester
SMILES:
CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](C#CCOS(C)(=O)=O)CC1Molecular Processing
Molecular formula
C16H27NO5S
Molecular weight
345.46
Exact mass
345.161
XLogP
2.39
TPSA
72.91
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.812
Molar refractivity
88.31
Supplementary Information
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