Название: 1-{4-[N-(2-isopropyloxyethyl)-N-acetoxyacetylamino]benzoyl}-4-[2-(4-chlorophenyl)ethyl]piperazine hydrochloride
SMILES:
CC(=O)OCC(=O)N(CCOC(C)C)c1ccc(C(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)cc1.ClMolecular Processing
Molecular formula
C28H37Cl2N3O5
Molecular weight
566.53
Exact mass
565.211
XLogP
4.08
TPSA
79.39
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.464
Molar refractivity
151.26
Supplementary Information
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