Nom: 3-[4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-methylbutanoate
SMILES:
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCC(n2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1Molecular Processing
Molecular formula
C33H39N5O5
Molecular weight
585.7
Exact mass
585.2951
XLogP
6.66
TPSA
130.59
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
164.66
Supplementary Information
Récupération des détails…
Impliqué dans 1 réactions→