Nombre: (3aR,4R,5R,6R,7aS)-2-(Azetidin-1-yl)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl)-3a,4,5,6,7,7a-hexahydrobenzo[d]thiazole
SMILES:
c1ccc(COC[C@H]2C[C@@H]3SC(N4CCC4)=N[C@@H]3[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1Molecular Processing
Molecular formula
C32H36N2O3S
Molecular weight
528.72
Exact mass
528.2447
XLogP
5.94
TPSA
43.29
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
38
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.406
Molar refractivity
153.03
Supplementary Information
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