Name: 4-[4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclopent-2-enol
SMILES:
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1C=CC(O)C1Molecular Processing
Molecular formula
C23H20N4O2
Molecular weight
384.44
Exact mass
384.1586
XLogP
4.33
TPSA
86.19
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
112.69
Supplementary Information
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