名称: 1,3,4,5-tetrahydro-3-(methoxycarbonyl)-1-(methoxymethyl)-4-(methoxyphenyl)-7-(trifluoromethyl)-2H-1-benzazepin-2-one
SMILES:
COCN1C(=O)C(C(=O)OC)C(c2ccccc2OC)Cc2cc(C(F)(F)F)ccc21Molecular Processing
Molecular formula
C22H22F3NO5
Molecular weight
437.41
Exact mass
437.145
XLogP
3.78
TPSA
65.07
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
105.75
Supplementary Information
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