CC(C)(C)OC(=O)N1CCC(Oc2ccc(NCC=Cc3cccc(C#N)c3)cc2)CC1
SMILES: CC(C)(C)OC(=O)N1CCC(Oc2ccc(NCC=Cc3cccc(C#N)c3)cc2)CC1

Molecular Processing

Molecular formula
C26H31N3O3
Molecular weight
433.55
Exact mass
433.2365
XLogP
5.46
TPSA
74.59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
126.58

Supplementary Information

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