Name: benzyl 2-[3-phenoxyacetamido-4-(6-nitrobenzothiazol-2-yldithio)-2-azetidinon-1-yl]-3-methyl-3-butenoate
SMILES:
C=C(C)C(C(=O)OCc1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2ccc([N+](=O)[O-])cc2s1Molecular Processing
Molecular formula
C30H26N4O7S3
Molecular weight
650.76
Exact mass
650.0964
XLogP
5.37
TPSA
140.97
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
13
Heavy atoms
44
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
169.06
Supplementary Information
Details werden geladen…
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