CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)O)NC(=O)C2CC(Oc3ccc([N+](=O)[O-])cc3)CN2C1=O
SMILES: CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)O)NC(=O)C2CC(Oc3ccc([N+](=O)[O-])cc3)CN2C1=O

Molecular Processing

Molecular formula
C29H38N4O9
Molecular weight
586.64
Exact mass
586.2639
XLogP
3.32
TPSA
177.41
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
42
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.586
Molar refractivity
149.63

Supplementary Information

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