Name: 2-propyl-4-pivaloylimidazole-5-carbonitrile
SMILES:
CCCc1nc(C(=O)C(C)(C)C)c(C#N)[nH]1Molecular Processing
Molecular formula
C12H17N3O
Molecular weight
219.29
Exact mass
219.1372
XLogP
2.46
TPSA
69.54
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
61.08
Supplementary Information
Details werden geladen…
An 6 Reaktionen beteiligt→