C1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=C(SC(=C4)Cl)Cl.Cl
الاسم: 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-piperazin-1-ylindole;hydrochloride
SMILES: C1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=C(SC(=C4)Cl)Cl.Cl

Molecular Processing

Molecular formula
C16H16Cl3N3O2S2
Molecular weight
452.82
Exact mass
450.975
XLogP
4.08
TPSA
54.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.25
Molar refractivity
111.19

Supplementary Information

InChIKey: JTLWAXBYQXIIMR-UHFFFAOYSA-N
مرادفات
SCHEMBL4315954JTLWAXBYQXIIMR-UHFFFAOYSA-N1-[(2,5-Dichloro-3-thienyl)sulfonyl]-4-(1-piperazinyl)-1H-indole Hydrochloride
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