Name: 2,2,2-trichloroethyl α-[4-cyclopropylmethoxycarbonylthio-3-phenoxyacetamido-2-oxoazetidine-1-yl]-α-(2-bromo-1-hydroxyethylidene)acetate
SMILES:
O=C(COc1ccccc1)NC1C(=O)N(C(C(=O)OCC(Cl)(Cl)Cl)=C(O)CBr)C1SC(=O)OCC1CC1Molecular Processing
Molecular formula
C22H22BrCl3N2O8S
Molecular weight
660.75
Exact mass
657.9346
XLogP
4.08
TPSA
131.47
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
37
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
140.86
Supplementary Information
Details werden geladen…
An 9 Reaktionen beteiligt→