SMILES:
Cc1nc(-c2ccccc2)oc1C(=O)C#CCNC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C19H20N2O4
Molecular weight
340.38
Exact mass
340.1423
XLogP
3.36
TPSA
81.43
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
93.02
Supplementary Information
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