Name: benzyl 2-[3-phenoxyacetamido-4-(5-methoxybenzothiazol-2-yldithio)-2-azetidinon-1-yl]-3-methyl-3-butenoate
SMILES:
C=C(C)C(C(=O)OCc1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2cc(OC)ccc2s1Molecular Processing
Molecular formula
C31H29N3O6S3
Molecular weight
635.79
Exact mass
635.1218
XLogP
5.47
TPSA
107.06
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
13
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.226
Molar refractivity
168.96
Supplementary Information
Details werden geladen…
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