Name: 9-(1H-imidazol-1-yl)-4-[2-[4-[(methylsulfonyl)amino]phenyl]acetyl]-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine
SMILES:
CS(=O)(=O)Nc1ccc(CC(=O)N2CCOc3ccc(-n4ccnc4)cc3OCC2)cc1Molecular Processing
Molecular formula
C22H24N4O5S
Molecular weight
456.52
Exact mass
456.1467
XLogP
2.09
TPSA
102.76
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
119.75
Supplementary Information
Details werden geladen…
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