COc1cc2c(cc1C1=CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C
SMILES: COc1cc2c(cc1C1=CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C

Molecular Processing

Molecular formula
C30H31N3O4
Molecular weight
497.6
Exact mass
497.2315
XLogP
5.94
TPSA
95.42
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
141.97

Supplementary Information

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