Name: diphenylmethyl 3-bromomethyl-7β-(2-thienylacetamido)-ceph-3-em-4-carboxylate
SMILES:
O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CBr)CS[C@H]12Molecular Processing
Molecular formula
C27H23BrN2O4S2
Molecular weight
583.53
Exact mass
582.0283
XLogP
4.67
TPSA
75.71
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
144.68
Supplementary Information
Details werden geladen…
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