Nombre: (+/−)-tert-butyl 7-methyl-5-(3-nitropyridin-4-yl)-2-oxo-3a,6,7,7a-tetrahydrobenzo[d]oxazole-3(2H)-carboxylate
SMILES:
CC1CC(c2ccncc2[N+](=O)[O-])=CC2C1OC(=O)N2C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C18H21N3O6
Molecular weight
375.38
Exact mass
375.143
XLogP
3.54
TPSA
111.87
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
94.78
Supplementary Information
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