이름: 7-(aminomethyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILES:
N#Cc1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCCC2CNMolecular Processing
Molecular formula
C20H19N5O
Molecular weight
345.41
Exact mass
345.159
XLogP
3.53
TPSA
88.89
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
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
0.2
Molar refractivity
100.09
Supplementary Information
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