CCOC(=O)c1cccc(NC(=O)NC2CN(C(=O)C(C)(C)C)c3ccccc3N(CC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1
SMILES: CCOC(=O)c1cccc(NC(=O)NC2CN(C(=O)C(C)(C)C)c3ccccc3N(CC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1

Molecular Processing

Molecular formula
C32H33N5O8
Molecular weight
615.64
Exact mass
615.2329
XLogP
4.57
TPSA
168.26
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
45
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.281
Molar refractivity
166.37

Supplementary Information

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