Name: (3-dibenzylamino-5-methyl-2-oxohexyl)-phosphonic acid dimethyl ester
SMILES:
COP(=O)(CC(=O)C(CC(C)C)N(Cc1ccccc1)Cc1ccccc1)OCMolecular Processing
Molecular formula
C23H32NO4P
Molecular weight
417.49
Exact mass
417.2069
XLogP
5.16
TPSA
55.84
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
116.87
Supplementary Information
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