CN1CC(C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)NCCOCCOCCN
이름: N-[2-[2-(2-aminoethoxy)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)NCCOCCOCCN

Molecular Processing

Molecular formula
C22H29Cl2N3O4S
Molecular weight
502.46
Exact mass
501.1256
XLogP
2.84
TPSA
93.89
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
126.96

Supplementary Information

InChIKey: IASCRFCWPXPWTQ-UHFFFAOYSA-N
동의어
SCHEMBL2574089IASCRFCWPXPWTQ-UHFFFAOYSA-NN-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzenesulfonamide
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