이름: (+/−)-2-(tert-butoxycarbonylamino)-6-methyl-4-(3-nitropyridin-4-yl)cyclohex-3-enyl methanesulfonate
SMILES:
CC1CC(c2ccncc2[N+](=O)[O-])=CC(NC(=O)OC(C)(C)C)C1OS(C)(=O)=OMolecular Processing
Molecular formula
C18H25N3O7S
Molecular weight
427.48
Exact mass
427.1413
XLogP
2.65
TPSA
137.73
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
105.52
Supplementary Information
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