名称: 9-methoxy-1-methyl-3,4,5,5a,6,7-hexahydrobenzo[g][3]benzazepin-2-one
SMILES:
CC1=C2C(CCC3=C2C=CC(=C3)OC)CCNC1=OMolecular Processing
Molecular formula
C16H19NO2
Molecular weight
257.33
Exact mass
257.1416
XLogP
2.55
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
75.03
Supplementary Information
InChIKey: OMKJXFSHNKTJNB-UHFFFAOYSA-N
同義語
SCHEMBL11231369OMKJXFSHNKTJNB-UHFFFAOYSA-N1-methyl-9-methoxy-3,4,5,5a,6,7-hexahydro-2H-naphth[1,2-d]azepin-2-one1-methyl-9-methoxy-3,4,5,5a,6,7-hexahydro-2H-naphth[1,2-d]azepin-2one1-methyl-9-methoxy-3,4,5,5a,6,7-hexahydro-2H-naphth[1,2-d]-azepin-2-one
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