Nom: (S)-2-[4-(2,3-dichloro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methy-1-pentanoic acid
SMILES:
CC(C)C[C@@H](C(=O)Nc1ccn(CC(C)(C)O)n1)N1CC(Oc2cccc(Cl)c2Cl)=CC1=O.ClMolecular Processing
Molecular formula
C23H29Cl3N4O4
Molecular weight
531.87
Exact mass
530.1254
XLogP
4.54
TPSA
96.69
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.435
Molar refractivity
134.53
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→