الاسم: 3-Acetoxy-3-(N-acetylisopropylaminomethyl)-7-methanesulfonamido-3,4-dihydro-2H-1,5-benzodioxepin
SMILES:
CC(=O)OC1(CN(C(C)=O)C(C)C)COc2ccc(NS(C)(=O)=O)cc2OC1Molecular Processing
Molecular formula
C18H26N2O7S
Molecular weight
414.48
Exact mass
414.1461
XLogP
1.39
TPSA
111.24
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
102.92
Supplementary Information
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