Name: diethyl 2-[2-cyano-5-(dimethylamino)-2-(3-methoxyphenyl)-1,1-dimethylpentyl]propanedioate, monohydrochloride
SMILES:
CCOC(=O)C(C(=O)OCC)C(C)(C)C(C#N)(CCCN(C)C)c1cccc(OC)c1.ClMolecular Processing
Molecular formula
C24H37ClN2O5
Molecular weight
469.02
Exact mass
468.2391
XLogP
3.99
TPSA
88.86
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
32
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.625
Molar refractivity
125.86
Supplementary Information
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