Name: 9-{(3aR,4R,6S,6aS)-6-[(ethylamino)carbonyl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}-6-[(2,2-diphenylethyl)amino]-N-{2-[({[1-(2-pyridinyl)-4-piperidinyl]amino}carbonyl)amino]ethyl}-9H-purine-2-carboxamide
SMILES:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(c5ccccn5)CC4)nc32)[C@@H]2OC(C)(C)O[C@@H]21Molecular Processing
Molecular formula
C43H51N11O6
Molecular weight
817.95
Exact mass
817.4024
XLogP
3.72
TPSA
198.78
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
14
Heavy atoms
60
Rings
8
Aromatic rings
5
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
223.3
Supplementary Information
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