이름: diphenylmethyl α-[3-phenoxymethyl-7-oxo-2,6-diaza-4-thiabicyclo[3,2,0]hept-2-en-6-yl]-α-(1-chloro-2-propen-2-yl)acetate
SMILES:
C=C(CCl)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C2N=C(COc3ccccc3)SC21Molecular Processing
Molecular formula
C29H25ClN2O4S
Molecular weight
533.05
Exact mass
532.1224
XLogP
5.24
TPSA
68.2
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
145.85
Supplementary Information
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