名称: 4-chloro-7-[1-(tert-butoxycarbonyl)-3-iodoindol-2-yl]isoindolinone
SMILES:
CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)c(I)c2ccccc21Molecular Processing
Molecular formula
C21H18ClIN2O3
Molecular weight
508.74
Exact mass
508.0051
XLogP
5.59
TPSA
60.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
28
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
0.238
Molar refractivity
117.9
Supplementary Information
詳細情報を取得中…
2 件の反応に参加→