Name: (3R,4R)-1-(2-hydroxy-ethyl)-4-{3-methoxy-4-[7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-piperidin-3-ol
SMILES:
COc1cc([C@H]2CCN(CCO)C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1Molecular Processing
Molecular formula
C27H31N5O4
Molecular weight
489.58
Exact mass
489.2376
XLogP
3.3
TPSA
104.38
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
138.14
Supplementary Information
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