C1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5.Cl
Nombre: 1-(4-phenylphenyl)sulfonyl-4-piperazin-1-ylindole;hydrochloride
SMILES: C1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5.Cl

Molecular Processing

Molecular formula
C24H24ClN3O2S
Molecular weight
454
Exact mass
453.1278
XLogP
4.38
TPSA
54.34
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.167
Molar refractivity
128.73

Supplementary Information

InChIKey: DXCQEVKPNDTXBF-UHFFFAOYSA-N
Sinónimos
SCHEMBL4315729DXCQEVKPNDTXBF-UHFFFAOYSA-N1-([1,1'-Biphenyl]-4-yl-sulfonyl)-4-(1-piperazinyl)-1H-indole Hydrochloride
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