C1=CC=C(C=C1)CCCCN(CCCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl
Nom: N-(3-aminopropyl)-N-(4-phenylbutyl)isoquinoline-5-sulfonamide;hydrochloride
SMILES: C1=CC=C(C=C1)CCCCN(CCCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl

Molecular Processing

Molecular formula
C22H28ClN3O2S
Molecular weight
434.01
Exact mass
433.1591
XLogP
4.02
TPSA
76.29
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.318
Molar refractivity
120.8

Supplementary Information

InChIKey: MVANZLHUCSQIPY-UHFFFAOYSA-N
Synonymes
SCHEMBL5663609MVANZLHUCSQIPY-UHFFFAOYSA-NN-[(5-Isoquinolyl)sulfonyl]-N-(4-phenylbutyl)-1,3-propylenediamine hydrochloride
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→