Nom: 4-(7-benzyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazin-5-yl)-benzonitrile
SMILES:
CC1(c2ccc(C#N)cc2)C(=O)N(Cc2ccccc2)Cc2cncn21Molecular Processing
Molecular formula
C21H18N4O
Molecular weight
342.4
Exact mass
342.1481
XLogP
3.06
TPSA
61.92
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
96.83
Supplementary Information
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