Nombre: methyl (3R,4S)-1-[(E)-(cyanoimino)(piperidin-1-yl)methyl]-4-[4-(4-cyano-2-methylphenyl)piperazin-1-yl]carbonylpiperidine-3-carboxylate
SMILES:
COC(=O)[C@H]1CN(/C(=N/C#N)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2C)CC1Molecular Processing
Molecular formula
C27H35N7O3
Molecular weight
505.62
Exact mass
505.2801
XLogP
1.95
TPSA
116.27
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
37
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.593
Molar refractivity
138.34
Supplementary Information
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