CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(C)(C)c2[nH]c4cc(C#N)ccc4c2C3=O)CC1
SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(C)(C)c2[nH]c4cc(C#N)ccc4c2C3=O)CC1

Molecular Processing

Molecular formula
C28H30N4O3
Molecular weight
470.57
Exact mass
470.2318
XLogP
4.97
TPSA
89.43
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
135.04

Supplementary Information

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