Nombre: N-[2-[3-(4-chlorophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide

SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC=CC3=CC=C(C=C3)Cl

Molecular Processing

Molecular formula

C20H20ClN3O2S

Molecular weight

401.92

Exact mass

401.0965

XLogP

3.47

TPSA

71.09

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

0.15

Molar refractivity

110.29

Supplementary Information

InChIKey: QPBVZAIIDPNCAY-UHFFFAOYSA-N

Sinónimos

SCHEMBL9587855QPBVZAIIDPNCAY-UHFFFAOYSA-NN-[2-(4-Chlorocinnamylamino)ethyl]-5-isoquinolinesulfonamide