CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C=O)C=C1C3=C4C(=C(C=C3)Cl)CNC4=O
이름: tert-butyl 2-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-5-formylindole-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C=O)C=C1C3=C4C(=C(C=C3)Cl)CNC4=O

Molecular Processing

Molecular formula
C22H19ClN2O4
Molecular weight
410.86
Exact mass
410.1033
XLogP
4.8
TPSA
77.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
110.57

Supplementary Information

InChIKey: UBGCGEQRLIHOHB-UHFFFAOYSA-N
동의어
SCHEMBL3043890UBGCGEQRLIHOHB-UHFFFAOYSA-N4-chloro-7-[1-(tert-butoxycarbonyl)-5-formylindol-2-yl]isoindolinone4-chloro-7-[1-(tert.-butoxycarbonyl)-5-formylindol-2-yl]isoindolinone
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