Name: {5-[4-(2-cyano-phenyl)-piperazine-1-carbonyl]-pyrrolidin-3-yl}-(2,4-difluoro-benzyl)-carbamic acid 2,2,2-trichloro-ethyl ester
SMILES:
N#Cc1ccccc1N1CCN(C(=O)C2CC(N(Cc3ccc(F)cc3F)C(=O)OCC(Cl)(Cl)Cl)CN2)CC1Molecular Processing
Molecular formula
C26H26Cl3F2N5O3
Molecular weight
600.88
Exact mass
599.1069
XLogP
4.22
TPSA
88.91
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
39
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
143.68
Supplementary Information
Details werden geladen…
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