Название: tert-butyl 5-(3-aminopyridin-4-yl)-2-oxohexahydrobenzo[d]oxazole-3(2H)-carboxylate
SMILES:
CC(C)(C)OC(=O)N1C(=O)OC2CCC(c3ccncc3N)CC21Molecular Processing
Molecular formula
C17H23N3O4
Molecular weight
333.39
Exact mass
333.1689
XLogP
3.06
TPSA
94.75
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
87.37
Supplementary Information
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