名称: 2-benzhydryloxycarbonyl-3-(2-dimethylaminovinyl)-7-[2-methoxyimino-2-(2-tritylaminothiazol-4-yl)-acetamido]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene
SMILES:
CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=CN(C)C)COC12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1Molecular Processing
Molecular formula
C49H44N6O6S
Molecular weight
844.99
Exact mass
844.3043
XLogP
7.24
TPSA
134.69
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
15
Heavy atoms
62
Rings
8
Aromatic rings
6
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.163
Molar refractivity
237.68
Supplementary Information
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