Name: 2-(4-pyridin-4-ylsulfanylbutyl)isoindole-1,3-dione
SMILES:
O=C1c2ccccc2C(=O)N1CCCCSc1ccncc1Molecular Processing
Molecular formula
C17H16N2O2S
Molecular weight
312.39
Exact mass
312.0932
XLogP
3.25
TPSA
50.27
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
86
Supplementary Information
InChIKey: JKPYZFHRQZJLNQ-UHFFFAOYSA-N
Synonyme
SCHEMBL8621890JKPYZFHRQZJLNQ-UHFFFAOYSA-N4-(4-phthalimidobutylthio)pyridineN-[4-(4-pyridylthio)butyl]phthalimide
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