CCOC(=O)n1c(C(=O)OC)c(NC(C)=O)c2ccc(Cl)cc21
Name: Methyl 3-acetylamino-6-chloro-1-(ethoxycarbonyl)indole-2-carboxylate
SMILES: CCOC(=O)n1c(C(=O)OC)c(NC(C)=O)c2ccc(Cl)cc21

Molecular Processing

Molecular formula
C15H15ClN2O5
Molecular weight
338.75
Exact mass
338.0669
XLogP
3.04
TPSA
86.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
85.01

Supplementary Information

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