CC(=O)N1c2c(ccn3c(C)c(C)nc23)C(=O)C(OC(=O)C(C)(C)C)C1c1ccccc1
SMILES: CC(=O)N1c2c(ccn3c(C)c(C)nc23)C(=O)C(OC(=O)C(C)(C)C)C1c1ccccc1

Molecular Processing

Molecular formula
C25H27N3O4
Molecular weight
433.51
Exact mass
433.2002
XLogP
4.2
TPSA
80.98
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
120.67

Supplementary Information

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