Name: methyl 3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-ylmethyl)benzoate
SMILES:
COC(=O)c1cccc(CN2c3ccccc3CCc3ccccc32)c1Molecular Processing
Molecular formula
C23H21NO2
Molecular weight
343.43
Exact mass
343.1572
XLogP
4.91
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
103.92
Supplementary Information
Details werden geladen…
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