Название: (S)-2-[4-(2-chloro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid
SMILES:
CC(C)C[C@@H](C(=O)Nc1ccn(CC(C)(C)O)n1)N1CC(Oc2ccccc2Cl)=CC1=OMolecular Processing
Molecular formula
C23H29ClN4O4
Molecular weight
460.96
Exact mass
460.1877
XLogP
3.47
TPSA
96.69
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
122.27
Supplementary Information
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