Название: (+/−)-tert-butyl 5-(3-nitropyridin-4-yl)-2-oxo-3a,6,7,7a-tetrahydrobenzo[d]oxazole-3(2H)-carboxylate
SMILES:
CC(C)(C)OC(=O)N1C(=O)OC2CCC(c3ccncc3[N+](=O)[O-])=CC21Molecular Processing
Molecular formula
C17H19N3O6
Molecular weight
361.35
Exact mass
361.1274
XLogP
3.29
TPSA
111.87
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
90.23
Supplementary Information
Загрузка подробностей…
Участвует в 5 реакциях→