COC1=CC2=C(C=C1)C3=C(C(=O)NCCC3CC2)CSC
名称: 9-methoxy-1-(methylsulfanylmethyl)-3,4,5,5a,6,7-hexahydrobenzo[g][3]benzazepin-2-one
SMILES: COC1=CC2=C(C=C1)C3=C(C(=O)NCCC3CC2)CSC

Molecular Processing

Molecular formula
C17H21NO2S
Molecular weight
303.43
Exact mass
303.1293
XLogP
2.89
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
87.73

Supplementary Information

InChIKey: KUDRXQOVDQDCDW-UHFFFAOYSA-N
同義語
SCHEMBL11237335KUDRXQOVDQDCDW-UHFFFAOYSA-N1-methylthiomethyl-3,4,5,5a,6,7-hexahydro-9-methoxy-2H-naphth[1,2-d]azepin-2-one1-methylthiomethyl-3,4,5,5a,6,7-hexahydro9-methoxy-2H-naphth[1,2-d]azepin-2-one
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