CC(C)(C)OC(=O)N1CCOC(c2ccc(N)c(C#N)c2)C1
SMILES: CC(C)(C)OC(=O)N1CCOC(c2ccc(N)c(C#N)c2)C1

Molecular Processing

Molecular formula
C16H21N3O3
Molecular weight
303.36
Exact mass
303.1583
XLogP
2.45
TPSA
88.58
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
82.07

Supplementary Information

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