Name: 1-(1-t-butoxycarbonyl-1-triphenylphosphoranylidenemethyl)-3-(triphenylmethylamino)-4-(3-p-fluorophenyl-2-oxopropylthio)azetidin-2-one
SMILES:
CC(C)(C)OC(=O)C(N1C(=O)C(NC(c2ccccc2)(c2ccccc2)c2ccccc2)C1SCC(=O)Cc1ccc(F)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C55H50FN2O4PS
Molecular weight
885.05
Exact mass
884.3213
XLogP
9.25
TPSA
75.71
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
15
Heavy atoms
64
Rings
8
Aromatic rings
7
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.164
Molar refractivity
260.33
Supplementary Information
Details werden geladen…
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