Name: 3-(1,3-Dimethyl-2,4-dioxo-5-phenyl-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)propanoic acid
SMILES:
Cn1c(=O)c2c(-c3ccccc3)n(CCC(=O)O)cc2n(C)c1=OMolecular Processing
Molecular formula
C17H17N3O4
Molecular weight
327.34
Exact mass
327.1219
XLogP
1.18
TPSA
86.23
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
90.11
Supplementary Information
Details werden geladen…
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