이름: N-trifluoroacetyl-7-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILES:
COc1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2CMolecular Processing
Molecular formula
C14H16F3NO2
Molecular weight
287.28
Exact mass
287.1133
XLogP
2.75
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
67.75
Supplementary Information
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