Nombre: (3-{(S)-2-[4-(3-cyclopropyl-2-fluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoylamino}-pyrazol-1-yl)-acetic acid ethyl ester
SMILES:
CCOC(=O)Cn1ccc(NC(=O)[C@H](CC(C)C)N2CC(Oc3cccc(C4CC4)c3F)=CC2=O)n1Molecular Processing
Molecular formula
C26H31FN4O5
Molecular weight
498.56
Exact mass
498.2278
XLogP
3.62
TPSA
102.76
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
129.53
Supplementary Information
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