Название: 1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-3-pyridin-3-ylurea;hydrochloride

SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC(=C3C2=O)CNC(=O)NC4=CN=CC=C4.Cl

Molecular Processing

Molecular formula

C20H18ClN5O5

Molecular weight

443.85

Exact mass

443.0996

XLogP

1.23

TPSA

137.57

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

0.2

Molar refractivity

110.46

Supplementary Information

InChIKey: CKOFUTLCCXSNOZ-UHFFFAOYSA-N

Синонимы

SCHEMBL2383015CKOFUTLCCXSNOZ-UHFFFAOYSA-Nn-{[2-(2,6-dioxo(3-piperidyl))-1,3-dioxoisoindolin-4-yl]methyl}(3-pyridylamino)carboxamide hydrochloride