이름: 2-{Cyclohexyl-[2-(7-methanesulfonylamino-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-cyclohexanecarboxylic acid ethyl ester
SMILES:
CCOC(=O)C1CCCCC1N(C(=O)CC1=NS(=O)(=O)c2cc(NS(C)(=O)=O)ccc2N1)C1CCCCC1Molecular Processing
Molecular formula
C25H36N4O7S2
Molecular weight
568.72
Exact mass
568.2025
XLogP
3.24
TPSA
151.31
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.64
Molar refractivity
143.87
Supplementary Information
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