Nom: 2,4-diamino-5-(7,8-dimethoxy-2-methyl-2H-1-benzopyran-5-ylmethyl)pyrimidine
SMILES:
COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)OC(C)C=C2Molecular Processing
Molecular formula
C17H20N4O3
Molecular weight
328.37
Exact mass
328.1535
XLogP
2.04
TPSA
105.51
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
92.33
Supplementary Information
Récupération des détails…
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