Name: tert-butyl 4-[4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-1-piperidinecarboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1Molecular Processing
Molecular formula
C28H31N5O3
Molecular weight
485.59
Exact mass
485.2427
XLogP
6.04
TPSA
95.5
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
139.97
Supplementary Information
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