Name: tert-butyl 1-(2-(4-cyanophenyl)-2-hydroxyethyl)azetidine-3-carboxylate
SMILES:
CC(C)(C)OC(=O)C1CN(CC(O)c2ccc(C#N)cc2)C1Molecular Processing
Molecular formula
C17H22N2O3
Molecular weight
302.37
Exact mass
302.163
XLogP
1.87
TPSA
73.56
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
81.89
Supplementary Information
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