Name: 4-(4-morpholino-7-(pyrimidin-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)aniline
SMILES:
Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CNC(c2ncccn2)C3)cc1Molecular Processing
Molecular formula
C21H23N7O
Molecular weight
389.46
Exact mass
389.1964
XLogP
1.74
TPSA
102.08
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
110.23
Supplementary Information
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