Nombre: 3-[3-(5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R)-2-methyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-ureido]-propionic acid methyl ester
SMILES:
COC(=O)CCNC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1CMolecular Processing
Molecular formula
C25H30ClFN4O5
Molecular weight
520.99
Exact mass
520.1889
XLogP
3.28
TPSA
100.21
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
133.45
Supplementary Information
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