名称: (5-amino-1,3-dihydroisoindol-2-yl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone

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

Molecular Processing

Molecular formula

C23H29N3O2

Molecular weight

379.5

Exact mass

379.226

XLogP

3.68

TPSA

58.8

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

0.435

Molar refractivity

111.28

Supplementary Information

InChIKey: AECLEMNWPCONTK-UHFFFAOYSA-N

同義語

SCHEMBL4233321