Name: (S)-2-[4-(2-chloro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methylsulfanyl-butyric acid methyl ester
SMILES:
COC(=O)[C@H](CCSC)N1CC(Oc2ccccc2Cl)=CC1=OMolecular Processing
Molecular formula
C16H18ClNO4S
Molecular weight
355.84
Exact mass
355.0645
XLogP
2.74
TPSA
55.84
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
90.68
Supplementary Information
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