Name: methyl(3R,4S)-1-[(Z)-(cyanoimino)(phenoxy)methyl]-4-[4-(4-cyano-2-methylphenyl)piperazin-1-yl]carbonylpiperidine-3-carboxylate
SMILES:
COC(=O)[C@H]1CN(/C(=N/C#N)Oc2ccccc2)CC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2C)CC1Molecular Processing
Molecular formula
C28H30N6O4
Molecular weight
514.59
Exact mass
514.2329
XLogP
2.54
TPSA
122.26
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
38
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
139.99
Supplementary Information
Fetching details…
Involved in 4 reactions→