Nombre: 4-(7-bromo-2H-benzopyran-3-sulfonyl)-1-[1-(4-pyridyl)-4-piperidinylamino]-2-piperazinone
SMILES:
O=C1CN(S(=O)(=O)C2=Cc3ccc(Br)cc3OC2)CCN1NC1CCN(c2ccncc2)CC1Molecular Processing
Molecular formula
C23H26BrN5O4S
Molecular weight
548.46
Exact mass
547.0889
XLogP
2.22
TPSA
95.08
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
132.43
Supplementary Information
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