Name: 5,6-dimethyl-2-chloro-4-(1-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine
SMILES:
Cc1nc(Cl)nc(N2CCc3cc(O)c(O)cc3C2C)c1CMolecular Processing
Molecular formula
C16H18ClN3O2
Molecular weight
319.79
Exact mass
319.1088
XLogP
3.28
TPSA
69.48
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
85.75
Supplementary Information
Details werden geladen…
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