Name: N-benzyloxycarbonyl-trans-4-[(6-nitro-1-indolinyl)carbonyl]cyclohexylamine
SMILES:
O=C(N[C@H]1CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1)OCc1ccccc1Molecular Processing
Molecular formula
C23H25N3O5
Molecular weight
423.47
Exact mass
423.1794
XLogP
3.97
TPSA
101.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
114.66
Supplementary Information
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