Nombre: 2-(7-methyl-6-nitro-3-thioxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid ethyl ester
SMILES:
CCOC(=O)C(C)N1C(=S)COc2cc(C)c([N+](=O)[O-])cc21Molecular Processing
Molecular formula
C14H16N2O5S
Molecular weight
324.36
Exact mass
324.078
XLogP
2.38
TPSA
81.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
84.5
Supplementary Information
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