Name: Ethyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indole-5-carboxylate
SMILES:
CCOC(=O)C1CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2c1[nH]c1ccccc21Molecular Processing
Molecular formula
C24H24F2N2O3
Molecular weight
426.46
Exact mass
426.1755
XLogP
4.53
TPSA
62.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
112.96
Supplementary Information
Details werden geladen…
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