Name: rel-1-[(1S,2R)-2-Methylcyclohexyl]-3,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2(1H)-one
SMILES:
C[C@@H]1CCCC[C@@H]1n1c(=O)[nH]c2cnc3[nH]ccc3c21Molecular Processing
Molecular formula
C15H18N4O
Molecular weight
270.34
Exact mass
270.1481
XLogP
2.96
TPSA
66.47
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
78.88
Supplementary Information
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