Name: 3-[4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl 2-[(tert-butoxycarbonyl)amino]acetate
SMILES:
CC(C)(C)OC(=O)NCC(=O)OC1CCC(n2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1Molecular Processing
Molecular formula
C30H33N5O5
Molecular weight
543.62
Exact mass
543.2482
XLogP
5.63
TPSA
130.59
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
150.9
Supplementary Information
Details werden geladen…
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