CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)COC(=O)c3ccc([N+](=O)[O-])cc3)cc1)=NC1CCN(C)CC21
SMILES: CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)COC(=O)c3ccc([N+](=O)[O-])cc3)cc1)=NC1CCN(C)CC21

Molecular Processing

Molecular formula
C36H42N4O7
Molecular weight
642.75
Exact mass
642.3053
XLogP
5.74
TPSA
123.81
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
47
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
179.03

Supplementary Information

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