이름: tert-butyl 1-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzoazepine-4-carboxylate
SMILES:
Cc1ccc(-c2ccc3c(c2)C=C(C(=O)OC(C)(C)C)CCN3C)cc1Molecular Processing
Molecular formula
C23H27NO2
Molecular weight
349.47
Exact mass
349.2042
XLogP
5.23
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
108.32
Supplementary Information
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