CN1CC(C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC=C(C=C3)S(=O)(=O)NCCOCCOCCOCCN
Nombre: N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzenesulfonamide
SMILES: CN1CC(C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC=C(C=C3)S(=O)(=O)NCCOCCOCCOCCN

Molecular Processing

Molecular formula
C24H33Cl2N3O5S
Molecular weight
546.52
Exact mass
545.1518
XLogP
2.86
TPSA
103.12
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
14
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
137.78

Supplementary Information

InChIKey: LVUOTHSHAAOQEY-UHFFFAOYSA-N
Sinónimos
SCHEMBL2575569LVUOTHSHAAOQEY-UHFFFAOYSA-NN-(2-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)ethyl)-4-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzenesulfonamide
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