SMILES:
CC1(C)OC[C@H](NC(=O)Nc2ccccc2C#N)[C@H](c2ccccc2)O1Molecular Processing
Molecular formula
C20H21N3O3
Molecular weight
351.41
Exact mass
351.1583
XLogP
3.57
TPSA
83.38
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
97.4
Supplementary Information
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