Name: 4-Acryloyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine
SMILES:
C=CC(=O)N1CCSc2ccc(OC)cc2C1Molecular Processing
Molecular formula
C13H15NO2S
Molecular weight
249.33
Exact mass
249.0823
XLogP
2.32
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
69.33
Supplementary Information
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