名称: 3-[(4-nitro-1H-indol-1-yl)methyl]-1-(t-butyloxycarbonyl)-1H-pyrrolo[2,3-b]pyridine
SMILES:
CC(C)(C)OC(=O)n1cc(Cn2ccc3c([N+](=O)[O-])cccc32)c2cccnc21Molecular Processing
Molecular formula
C21H20N4O4
Molecular weight
392.42
Exact mass
392.1485
XLogP
4.73
TPSA
92.19
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
109.06
Supplementary Information
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