Name: tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCCN(CCO)CC1Molecular Processing
Molecular formula
C12H24N2O3
Molecular weight
244.33
Exact mass
244.1787
XLogP
0.92
TPSA
53.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
65.95
Supplementary Information
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