C1CN(C(=O)C1NS(=O)(=O)C2=CC3=C(S2)C=C(C=C3Cl)Cl)CC4=CC(=CC=C4)C(=N)N.C(=O)(C(F)(F)F)O
Nombre: 3-[[(3S)-3-[(4,6-dichloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide;2,2,2-trifluoroacetic acid
SMILES: C1CN(C(=O)C1NS(=O)(=O)C2=CC3=C(S2)C=C(C=C3Cl)Cl)CC4=CC(=CC=C4)C(=N)N.C(=O)(C(F)(F)F)O

Molecular Processing

Molecular formula
C22H19Cl2F3N4O5S2
Molecular weight
611.45
Exact mass
610.0126
XLogP
4.2
TPSA
153.65
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
16
Covalent units
2
Fraction Csp3
0.227
Molar refractivity
137.14

Supplementary Information

InChIKey: TUHFUFSDRLPQSO-NTISSMGPSA-N
Sinónimos
3-[3-(S)-(4,6-dichlorobenzo[b]thiophene-2-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-benzamidine trifluoroacetateSCHEMBL74807383-[3-(S)-(4,6-dichlorobenzo[b]thiophene-2-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-benzamidine trifluroacetate
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