SMILES:
CC(C)(C)OC(=O)NCC#CC(=O)c1oc(-c2ccccc2)nc1-c1ccccc1Molecular Processing
Molecular formula
C24H22N2O4
Molecular weight
402.45
Exact mass
402.158
XLogP
4.72
TPSA
81.43
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
113.72
Supplementary Information
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