Nombre: 2-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]piperazin-1-yl]-1-phenylethanone
SMILES:
C1CN(CCN1CCCN2CCN(CC2)CC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)ClMolecular Processing
Molecular formula
C26H35ClN4O
Molecular weight
455.05
Exact mass
454.2499
XLogP
3.35
TPSA
30.03
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
131.44
Supplementary Information
InChIKey: VGIQGYBSEKJOQG-UHFFFAOYSA-N
Sinónimos
SCHEMBL10502013VGIQGYBSEKJOQG-UHFFFAOYSA-N1-[4-(4-chlorobenzyl)-1-piperazinyl]-3-(4-phenacyl-1-piperazinyl)propane
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