Название: 11-(3-chloro-4-fluorobenzyl)-9-hydroxy-2-methyl-4-pyrrolidin-1-yl-3,4,5,6,12,13-hexahydro-2H[1,4]diazocino[2,1-a]-2,6-naphthyridine-1,8,10(11H)-trione
SMILES:
CN1CC(N2CCCC2)CCn2c(c3c(c(O)c2=O)C(=O)N(Cc2ccc(F)c(Cl)c2)CC3)C1=OMolecular Processing
Molecular formula
C25H28ClFN4O4
Molecular weight
502.97
Exact mass
502.1783
XLogP
2.49
TPSA
86.09
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
35
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
128.39
Supplementary Information
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