Name: methyl 4-[[(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl]methyl]benzoate
SMILES:
COC(=O)c1ccc(CN2C[C@@H]3C[C@H]2CN3)cc1Molecular Processing
Molecular formula
C14H18N2O2
Molecular weight
246.31
Exact mass
246.1368
XLogP
1.02
TPSA
41.57
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
68.39
Supplementary Information
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