이름: 7-((methylamino)methyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydro pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILES:
CNCC1CCNc2c(C#N)c(-c3ccc(Oc4ccccc4)cc3)nn21Molecular Processing
Molecular formula
C21H21N5O
Molecular weight
359.43
Exact mass
359.1746
XLogP
3.79
TPSA
74.9
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
104.96
Supplementary Information
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