Name: 2-allyl-1-{6-[(1R*)-1-hydroxyethyl]pyridin-2-yl}-6-(methylthio)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
SMILES:
C=CCn1c(=O)c2cnc(SC)nc2n1-c1cccc([C@@H](C)O)n1Molecular Processing
Molecular formula
C16H17N5O2S
Molecular weight
343.41
Exact mass
343.1103
XLogP
1.94
TPSA
85.83
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
93.53
Supplementary Information
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