Nombre: 4-[3-(3-butyl-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one

SMILES: CCCCC1CC2CCC(C1)N2CC(C)CN3C(=O)COC4=CC=CC=C43

Molecular Processing

Molecular formula

C23H34N2O2

Molecular weight

370.54

Exact mass

370.262

XLogP

4.48

TPSA

32.78

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

0.696

Molar refractivity

109.22

Supplementary Information

InChIKey: YXSQVNRXUABSEX-UHFFFAOYSA-N

Sinónimos

SCHEMBL4091141