Name: N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-(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(=CC=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

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.5

Molar refractivity

137.78

Supplementary Information

InChIKey: INYHTNOHKPVFNR-UHFFFAOYSA-N

Synonyms

SCHEMBL2574681CHEMBL3891213INYHTNOHKPVFNR-UHFFFAOYSA-N