Name: 4-(1-Ethoxythiocarbonylsulfanylmethyl-2,2,2-trifluoro-1-hydroxy-ethyl)-5-oxo-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid ethyl ester
SMILES:
CCOC(=O)N1CC2CC(=O)C(C(O)(CSC(=S)OCC)C(F)(F)F)C2C1Molecular Processing
Molecular formula
C16H22F3NO5S2
Molecular weight
429.48
Exact mass
429.0891
XLogP
2.63
TPSA
76.07
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.812
Molar refractivity
96.38
Supplementary Information
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Involved in 3 reactions→