Nombre: (S)-3-cyclohexyl-2-[4-(2-methoxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl)-propionic acid
SMILES:
COc1ccccc1OC1=CC(=O)N([C@@H](CC2CCCCC2)C(=O)Nc2ccn(CC(C)(C)O)n2)C1Molecular Processing
Molecular formula
C27H36N4O5
Molecular weight
496.61
Exact mass
496.2686
XLogP
3.75
TPSA
105.92
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
135.55
Supplementary Information
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