Название: 1-[4-(2-isopropyloxyethyl)aminobenzoyl]-4-[2-(4-chlorophenyl)ethyl]piperazine
SMILES:
CC(C)OCCNc1ccc(C(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)cc1Molecular Processing
Molecular formula
C24H32ClN3O2
Molecular weight
429.99
Exact mass
429.2183
XLogP
4.18
TPSA
44.81
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
123.52
Supplementary Information
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