Name: 8-dibenzylamino-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester
SMILES:
CCOC(=O)C1=CNCC(C)(C)c2c1[nH]c1cc(N(Cc3ccccc3)Cc3ccccc3)ccc21Molecular Processing
Molecular formula
C31H33N3O2
Molecular weight
479.62
Exact mass
479.2573
XLogP
6.16
TPSA
57.36
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
146.71
Supplementary Information
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Involved in 4 reactions→