CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)CN3CCCCC3)C=C1C4=C5C(=C(C=C4)O)CNC5=O
Название: tert-butyl 2-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)-5-(piperidin-1-ylmethyl)indole-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)CN3CCCCC3)C=C1C4=C5C(=C(C=C4)O)CNC5=O

Molecular Processing

Molecular formula
C27H31N3O4
Molecular weight
461.56
Exact mass
461.2315
XLogP
5.03
TPSA
83.8
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
130.97

Supplementary Information

InChIKey: BDKCDQCUMUFZRU-UHFFFAOYSA-N
Синонимы
SCHEMBL3049701BDKCDQCUMUFZRU-UHFFFAOYSA-N4-hydroxy-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]-isoindolinone4-Hydroxy-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone
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