Name: 3-acetylamino-6-chloro-1-ethoxycarbonyl-2-(3-methylbenzoyl)indole
SMILES:
CCOC(=O)n1c(C(=O)c2cccc(C)c2)c(NC(C)=O)c2ccc(Cl)cc21Molecular Processing
Molecular formula
C21H19ClN2O4
Molecular weight
398.85
Exact mass
398.1033
XLogP
4.8
TPSA
77.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
108.28
Supplementary Information
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