Name: 3-(N-acetyl-N-methoxycarbonylmethylamino)-2-benzoyl-6-chloro-1-(ethoxycarbonyl)indole
SMILES:
CCOC(=O)n1c(C(=O)c2ccccc2)c(N(CC(=O)OC)C(C)=O)c2ccc(Cl)cc21Molecular Processing
Molecular formula
C23H21ClN2O6
Molecular weight
456.88
Exact mass
456.1088
XLogP
4.06
TPSA
94.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
119.29
Supplementary Information
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