CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)CN3CCCCC3)C=C1C4=CC(=C(C5=C4C(=O)NC5)Cl)O
Name: tert-butyl 2-(7-chloro-6-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=CC(=C(C5=C4C(=O)NC5)Cl)O

Molecular Processing

Molecular formula
C27H30ClN3O4
Molecular weight
496.01
Exact mass
495.1925
XLogP
5.68
TPSA
83.8
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
135.98

Supplementary Information

InChIKey: GIQSBEJFDYRTTF-UHFFFAOYSA-N
Synonyme
SCHEMBL3037479GIQSBEJFDYRTTF-UHFFFAOYSA-N4-chloro-5-hydroxy-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone4-chloro-5-hydroxy-7-[1-(tert-butoxycarbonyl)-5-(piperidin-1-ylmethyl)indol-2-yl]Isoindolinone
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