Название: ethyl 9-cyclopropyl-2-methyl-4-(((trifluoromethyl)sulfonyl)oxy)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-3-carboxylate
SMILES:
CCOC(=O)c1c(C)nc2c(c3c(n2C2CC2)CCCC3)c1OS(=O)(=O)C(F)(F)FMolecular Processing
Molecular formula
C19H21F3N2O5S
Molecular weight
446.45
Exact mass
446.1123
XLogP
3.96
TPSA
87.49
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
100.94
Supplementary Information
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