الاسم: 9-benzenesulfonyl-3-bromo-5-{1-[2-(tetrahydropyran-2-yloxy)-ethyl]-piperidin-4-yloxy}-9H-dipyrido[2,3-b;4′,3′-d]pyrrole-6-carbonitrile
SMILES:
N#Cc1ncc2c(c1OC1CCN(CCOC3CCCCO3)CC1)c1cc(Br)cnc1n2S(=O)(=O)c1ccccc1Molecular Processing
Molecular formula
C29H30BrN5O5S
Molecular weight
640.56
Exact mass
639.1151
XLogP
4.84
TPSA
119.57
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
41
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
156.11
Supplementary Information
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