Name: (S)-2-{[(R)-5-(4-cyano-benzyl)-7-(3,5-dichloro-phenyl)-5-methyl-6-oxo-6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carbonyl]-amino}-propionic acid
SMILES:
C[C@H](NC(=O)c1cnc2n1[C@](C)(Cc1ccc(C#N)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)OMolecular Processing
Molecular formula
C24H19Cl2N5O4
Molecular weight
512.35
Exact mass
511.0814
XLogP
3.9
TPSA
128.32
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
128.91
Supplementary Information
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