名称: N-[(3-bromophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide

SMILES: CC1=C(C(=CC=C1)C)C(=O)NC(C2=CC(=CC=C2)Br)C34CCC(N3C)CC4

Molecular Processing

Molecular formula

C23H27BrN2O

Molecular weight

427.39

Exact mass

426.1307

XLogP

5.16

TPSA

32.34

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

113.02

Supplementary Information

InChIKey: DIBWQSXJLGEKNQ-UHFFFAOYSA-N

同義語

SCHEMBL2123491