الاسم: 1-[(1,2,3,4-tetrahydro-1-oxo-2-naphthalenyl)-methyl]-4-anilino isonipecotonitrile
SMILES:
N#CC1(Nc2ccccc2)CCN(CC2CCc3ccccc3C2=O)CC1Molecular Processing
Molecular formula
C23H25N3O
Molecular weight
359.47
Exact mass
359.1998
XLogP
3.9
TPSA
56.13
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
106.67
Supplementary Information
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