C1=CC2=C(C=C1Cl)NC3=C(C(=O)NC=C3S2)C#N
الاسم: 7-chloro-3-oxo-2,5-dihydropyrido[3,4-b][1,4]benzothiazine-4-carbonitrile
SMILES: C1=CC2=C(C=C1Cl)NC3=C(C(=O)NC=C3S2)C#N

Molecular Processing

Molecular formula
C12H6ClN3OS
Molecular weight
275.72
Exact mass
274.992
XLogP
3.11
TPSA
68.68
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
70.64

Supplementary Information

InChIKey: FVYVSRNJVJCWDT-UHFFFAOYSA-N
مرادفات
CHEMBL169918SCHEMBL11449619FVYVSRNJVJCWDT-UHFFFAOYSA-N7-chloro-2,3-dihydro-3-oxo-5H-pyrido[3,4-b][1,4]benzothiazine-4-carbonitrile
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