이름: (2-allyloxy-4-methyl-phenyl)-(2-amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)-methanone
SMILES:
C=CCOc1cc(C)ccc1C(=O)c1c(N)sc2c1CCCC2Molecular Processing
Molecular formula
C19H21NO2S
Molecular weight
327.45
Exact mass
327.1293
XLogP
4.31
TPSA
52.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
95.68
Supplementary Information
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