Cc1ccc2c(N3CCC(NC(=O)OCC(C)C)C3)nc(-c3ccccc3O)nc2c1
SMILES: Cc1ccc2c(N3CCC(NC(=O)OCC(C)C)C3)nc(-c3ccccc3O)nc2c1

Molecular Processing

Molecular formula
C24H28N4O3
Molecular weight
420.51
Exact mass
420.2161
XLogP
4.27
TPSA
87.58
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
121.32

Supplementary Information

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