Название: 2-[[(2S,3R)-1-(5-chloro-2-pyrimidin-2-ylbenzoyl)-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione

SMILES: CC1CCCN(C1CN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=C(C=CC(=C4)Cl)C5=NC=CC=N5

Molecular Processing

Molecular formula

C26H23ClN4O3

Molecular weight

474.95

Exact mass

474.1459

XLogP

4.33

TPSA

83.47

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

0.269

Molar refractivity

127.51

Supplementary Information

InChIKey: HJSRZHBXURSJCP-OPAMFIHVSA-N

Синонимы

SCHEMBL16277327HJSRZHBXURSJCP-OPAMFIHVSA-N2-(((2S,3R)-1-(5-Chloro-2-(pyrimidin-2-yl)benzoyl)-3-methylpiperidin-2-yl)methyl)isoindoline-1,3-dione