Name: tert-butyl(6bR,10aS)-5-bromo-1,2,6b,9,10,10a-hexahydropyrido[4,3-b][1,4]thiazino[2,3,4-hi]indole-8(7H)-carboxylate 3,3-dioxide
SMILES:
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(Br)cc3c1N2CCS3(=O)=OMolecular Processing
Molecular formula
C18H23BrN2O4S
Molecular weight
443.36
Exact mass
442.0562
XLogP
3.15
TPSA
66.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
26
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
102.49
Supplementary Information
Details werden geladen…
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