Name: (R)-t-butyl 2-(4-(3-((R)-1-(2,4-dichlorophenyl)ethylamino)-4-fluorophenyl)piperazine-1-carbonyl)piperidine-1-carboxylate
SMILES:
C[C@@H](Nc1cc(N2CCN(C(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)CC2)ccc1F)c1ccc(Cl)cc1ClMolecular Processing
Molecular formula
C29H37Cl2FN4O3
Molecular weight
579.54
Exact mass
578.2227
XLogP
6.74
TPSA
65.12
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
39
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
0.517
Molar refractivity
154.27
Supplementary Information
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