名称: 4-(5-chloropyridin-3-yl)-2-((4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl)-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridine-6-carbonitrile
SMILES:
C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(C#N)nc(-c4cncc(Cl)c4)c32)CC1Molecular Processing
Molecular formula
C27H31ClN6O
Molecular weight
491.04
Exact mass
490.2248
XLogP
5.6
TPSA
79.86
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
35
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
136.33
Supplementary Information
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