Nombre: (S)-2-[4-(2-chloro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-N-[1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl-methyl)-1H-pyrazol-3-yl]-4-methoxy-butyramide
SMILES:
COCC[C@@H](C(=O)Nc1ccn(C[C@@H]2COC(C)(C)O2)n1)N1CC(Oc2ccccc2Cl)=CC1=OMolecular Processing
Molecular formula
C24H29ClN4O6
Molecular weight
504.97
Exact mass
504.1776
XLogP
2.84
TPSA
104.15
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
127.92
Supplementary Information
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