SMILES:
CN1CCN(c2ccc3c(c2)NC(=O)C(C)(c2ccc([N+](=O)[O-])cc2)C3=O)CC1Molecular Processing
Molecular formula
C21H22N4O4
Molecular weight
394.43
Exact mass
394.1641
XLogP
2.44
TPSA
95.79
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
109.56
Supplementary Information
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