Name: 4-(9-benzenesulfonyl-3-bromo-6-cyano-9H-dipyrido[2,3-b;4′,3′-d]pyrrol-5-yloxy)piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(Oc2c(C#N)ncc3c2c2cc(Br)cnc2n3S(=O)(=O)c2ccccc2)CC1Molecular Processing
Molecular formula
C27H26BrN5O5S
Molecular weight
612.51
Exact mass
611.0838
XLogP
5.23
TPSA
127.41
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
147.93
Supplementary Information
Details werden geladen…
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