COCCOCN(c1noc(C)c1Cl)S(=O)(=O)c1c(C(O)c2cc3c(cc2C)OCO3)sc2ncccc12
名称: title compound
SMILES: COCCOCN(c1noc(C)c1Cl)S(=O)(=O)c1c(C(O)c2cc3c(cc2C)OCO3)sc2ncccc12

Molecular Processing

Molecular formula
C24H24ClN3O8S2
Molecular weight
582.06
Exact mass
581.0693
XLogP
4.18
TPSA
133.45
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
10
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
139.59

Supplementary Information

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