CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1C3=C4C(=C(C=C3)N)C(=O)NC4=O)I
الاسم: tert-butyl 2-(7-amino-1,3-dioxoisoindol-4-yl)-3-iodoindole-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1C3=C4C(=C(C=C3)N)C(=O)NC4=O)I

Molecular Processing

Molecular formula
C21H18IN3O4
Molecular weight
503.3
Exact mass
503.0342
XLogP
4.16
TPSA
103.42
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
117.93

Supplementary Information

InChIKey: IINXVSPQFQIONC-UHFFFAOYSA-N
مرادفات
SCHEMBL3038178IINXVSPQFQIONC-UHFFFAOYSA-N3-Amino-6-[1-(tert-butoxycarbonyl)-3-iodoindol-2-yl]phtalimide
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