Name: (3-dibenzylamino-2-hydroxy-5-methyl-hexyl)-phosphonic acid dimethyl ester
SMILES:
COP(=O)(CC(O)C(CC(C)C)N(Cc1ccccc1)Cc1ccccc1)OCMolecular Processing
Molecular formula
C23H34NO4P
Molecular weight
419.5
Exact mass
419.2225
XLogP
4.95
TPSA
59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
117.87
Supplementary Information
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