Name: 9-(1H-imidazol-1-yl)-4-[(4-methylphenyl)sulfonyl]-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine
SMILES:
Cc1ccc(S(=O)(=O)N2CCOc3ccc(-n4ccnc4)cc3OCC2)cc1Molecular Processing
Molecular formula
C20H21N3O4S
Molecular weight
399.47
Exact mass
399.1253
XLogP
2.64
TPSA
73.66
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
104.49
Supplementary Information
Details werden geladen…
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