Название: [8-benzyl-10-(hydroxymethyl)-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(4-isopropoxy-3-methyl-phenyl)methanone hydrochloride salt
SMILES:
Cc1cc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2)CC(CO)O3)ccc1OC(C)C.ClMolecular Processing
Molecular formula
C27H37ClN2O4
Molecular weight
489.06
Exact mass
488.2442
XLogP
4.07
TPSA
62.24
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.519
Molar refractivity
135.74
Supplementary Information
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