Name: phenyl 1-(3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo(3,2,0)hept-2-en-6-yl)-1-(p-nitrobenzyloxycarbonyl)-prop-1-en2-yl phenylphosphonate
SMILES:
CC(OP(=O)(Oc1ccccc1)c1ccccc1)=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(COc3ccccc3)SC21Molecular Processing
Molecular formula
C34H28N3O9PS
Molecular weight
685.65
Exact mass
685.1284
XLogP
6.24
TPSA
146.87
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
13
Heavy atoms
48
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.147
Molar refractivity
178.81
Supplementary Information
Details werden geladen…
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