Name: (S)-2-[4-(2-chloro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-N-[1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl-methyl)-1-H-pyrazol-3-yl]-propionamide
SMILES:
CC1(C)OC[C@@H](Cn2ccc(NC(=O)[C@H](CC3CCCCC3)N3CC(Oc4ccccc4Cl)=CC3=O)n2)O1Molecular Processing
Molecular formula
C28H35ClN4O5
Molecular weight
543.06
Exact mass
542.2296
XLogP
4.77
TPSA
94.92
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
38
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
142.62
Supplementary Information
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