Nombre: 4-(7-bromo-2H-benzopyran-3-sulfonyl)-1-(4-piperidinylamino)-2-piperazinone
SMILES:
O=C1CN(S(=O)(=O)C2=Cc3ccc(Br)cc3OC2)CCN1NC1CCNCC1Molecular Processing
Molecular formula
C18H23BrN4O4S
Molecular weight
471.38
Exact mass
470.0623
XLogP
0.91
TPSA
90.98
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
108.85
Supplementary Information
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