이름: (S)-4-(t-butyloxycarbonylamino)-2,3,4,5-tetrahydro-2-benzazepin-3(1H)-one
SMILES:
CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2CNC1=OMolecular Processing
Molecular formula
C15H20N2O3
Molecular weight
276.34
Exact mass
276.1474
XLogP
1.75
TPSA
67.43
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
75.15
Supplementary Information
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