이름: 2,2,2-trichloroethyl 2-bromomethyl-2-methyl-6-[N-(1-cyclopropylethoxy)carbonylphenylglycyl]aminopenam-3-carboxylate
SMILES:
CC(OC(=O)N(CC(=O)NC1C(=O)N2C(C(=O)OCC(Cl)(Cl)Cl)C(C)(CBr)S[C@H]12)c1ccccc1)C1CC1Molecular Processing
Molecular formula
C24H27BrCl3N3O6S
Molecular weight
671.82
Exact mass
668.987
XLogP
4.26
TPSA
105.25
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
38
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
5
Undefined stereo
4
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
149.85
Supplementary Information
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