Name: 4-Hydroxy-4-(4-{7-[2-(methanesulfonyl-methyl-amino)-phenyl]-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino}-3-methoxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
COc1cc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1Molecular Processing
Molecular formula
C31H38N6O6S
Molecular weight
622.75
Exact mass
622.2574
XLogP
4.76
TPSA
138.6
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
44
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
168.88
Supplementary Information
Details werden geladen…
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