Name: tert-butyl 4-{(3S)-4-[(1R,2R)-5-bromo-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl}-4-methylpiperidine-1-carboxylate
SMILES:
C[C@H]1CN(C2(C)CCN(C(=O)OC(C)(C)C)CC2)CCN1[C@@H]1c2ccc(Br)cc2C[C@H]1OMolecular Processing
Molecular formula
C25H38BrN3O3
Molecular weight
508.5
Exact mass
507.2097
XLogP
4.2
TPSA
56.25
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
32
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.72
Molar refractivity
129.78
Supplementary Information
Details werden geladen…
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