COc1cc(OC2CCN(C)CC2)c2c(=O)n(COC(=O)C(C)(C)C)cnc2c1
SMILES: COc1cc(OC2CCN(C)CC2)c2c(=O)n(COC(=O)C(C)(C)C)cnc2c1

Molecular Processing

Molecular formula
C21H29N3O5
Molecular weight
403.48
Exact mass
403.2107
XLogP
2.42
TPSA
82.89
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
109.25

Supplementary Information

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