Name: tert-butyl [(4aR,6R,8aS)-8a-(5-bromo-2-fluorophenyl)-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(Br)ccc3F)CO[C@@H](CO)C[C@H]2CS1Molecular Processing
Molecular formula
C19H24BrFN2O4S
Molecular weight
475.38
Exact mass
474.0624
XLogP
3.81
TPSA
80.15
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
109.97
Supplementary Information
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