名称: 3-bromo-5-phenyl-8-methyl-2,3,4,5-tetrahydro-1H-(1)benzazepin-2-one
SMILES:
Cc1ccc2c(c1)NC(=O)C(Br)CC2c1ccccc1Molecular Processing
Molecular formula
C17H16BrNO
Molecular weight
330.23
Exact mass
329.0415
XLogP
4.23
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
85.43
Supplementary Information
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