Name: 1-[2-[4-(3-piperidin-1-ylpropoxy)benzoyl]-1,3-dihydroisoindol-5-yl]pyrrolidin-2-one

SMILES: C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CC4=C(C3)C=C(C=C4)N5CCCC5=O

Molecular Processing

Molecular formula

C27H33N3O3

Molecular weight

447.58

Exact mass

447.2522

XLogP

4.22

TPSA

53.09

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

0.481

Molar refractivity

128.45

Supplementary Information

InChIKey: MJFBZUFJCNGSML-UHFFFAOYSA-N

Synonyme

SCHEMBL4233563