C1CSC2=C(C=C(C=C2)F)NC1=O
CAS: 313369-11-8
Nombre: 7-fluoro-3,5-dihydro-2H-1,5-benzothiazepin-4-one
SMILES: C1CSC2=C(C=C(C=C2)F)NC1=O

Molecular Processing

Molecular formula
C9H8FNOS
Molecular weight
197.23
Exact mass
197.0311
XLogP
2.26
TPSA
29.1
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
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
0.222
Molar refractivity
50.37

Supplementary Information

InChIKey: UUWPTDPTYIKFAU-UHFFFAOYSA-N
Sinónimos
7-fluoro-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one313369-11-8SCHEMBL5507140UUWPTDPTYIKFAU-UHFFFAOYSA-NEN300-1572827-fluoro-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
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