이름: tert-butyl [(4aR,6R,8aS)-8a-(2-fluoro-5-nitrophenyl)-6-hydroxymethyl-4,4a,5,6,8,8a-hexahydro-7-oxa-3-thia-1-azanaphthalen-2-yl]carbamate
SMILES:
CC(C)(C)OC(=O)NC1=N[C@@]2(c3cc([N+](=O)[O-])ccc3F)CO[C@@H](CO)C[C@H]2CS1Molecular Processing
Molecular formula
C19H24FN3O6S
Molecular weight
441.48
Exact mass
441.137
XLogP
2.95
TPSA
123.29
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
108.93
Supplementary Information
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