이름: diphenylmethyl α-[3-phenoxymethyl-7-oxo-2,6-diaza-4-thiabicyclo[3,2,0]hept-2-en-6-yl]-α-(2-chloro-1-hydroxyethylidene)acetate
SMILES:
O=C(OC(c1ccccc1)c1ccccc1)C(=C(O)CCl)N1C(=O)C2N=C(COc3ccccc3)SC21Molecular Processing
Molecular formula
C28H23ClN2O5S
Molecular weight
535.02
Exact mass
534.1016
XLogP
5.09
TPSA
88.43
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
142.58
Supplementary Information
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