الاسم: 3-{5-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl-prop-1-ynyl]pyridin-2-yl}prop-2-ynyl)-1H-isoindole-1,3(2H)-dione
SMILES:
O=C1c2ccccc2C(=O)N1CC#Cc1ccc(C#CCN2C(=O)c3ccccc3C2=O)nc1Molecular Processing
Molecular formula
C27H15N3O4
Molecular weight
445.43
Exact mass
445.1063
XLogP
2.38
TPSA
87.65
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.074
Molar refractivity
121.61
Supplementary Information
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