Название: N-methyl 3-(4-fluorobenzoyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carbamide
SMILES:
CNC(=O)C1CN(C(=O)c2ccc(F)cc2)CCc2c1[nH]c1ccccc21Molecular Processing
Molecular formula
C21H20FN3O2
Molecular weight
365.41
Exact mass
365.154
XLogP
2.84
TPSA
65.2
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
101.11
Supplementary Information
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