CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)CN3CCCCC3)C=C1C4=C5C(=C(C=C4)OS(=O)(=O)C(F)(F)F)CNC5=O
Название: tert-butyl 2-[3-oxo-7-(trifluoromethylsulfonyloxy)-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)OS(=O)(=O)C(F)(F)F)CNC5=O

Molecular Processing

Molecular formula
C28H30F3N3O6S
Molecular weight
593.62
Exact mass
593.1807
XLogP
5.55
TPSA
106.94
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
144.91

Supplementary Information

InChIKey: CCPBHCTUTBXIOJ-UHFFFAOYSA-N
Синонимы
4-Trifluoromethanesulfonyloxy-7-(1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone4-trifluoromethanesulfonyloxy-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinoneSCHEMBL3039577
Источник →
Участвует в 18 реакциях→

Расширенный поиск

Поиск подструктуры→Поиск по сходству→