SMILES:
CC(COc1ccc(C#N)cc1)NC(=O)C(N)C(C)CMolecular Processing
Molecular formula
C15H21N3O2
Molecular weight
275.35
Exact mass
275.1634
XLogP
1.43
TPSA
88.14
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
77.07
Supplementary Information
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