(2E)-2-benzylidene-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Formula:C21H16N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-benzylidene-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is a drug-like molecule.

MolName(2E)-2-benzylidene-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
MolecularFormulaC21H16N2O3S
SmilesO=C(c(cc1)cc(NC2=O)c1S/C2=C/c1ccccc1)NCc1ccco1
InChIInChI=1S/C21H16N2O3S/c24-20(22-13-16-7-4-10-26-16)15-8-9-18-17(12-15)23-21(25)19(27-18)11-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,24)(H,23,25)
InChIKYIXZWHAOCRZLNL-UHFFFAOYSA-N
TotalMolweight376.435
Molweight376.435
MonoisotopicMass376.088163
CLogP2.3026
CLogS-5.424
H Acceptors5
H Donors2
TotalSurfaceArea283.35
Relative PSA0.28445
PolarSurfaceArea96.64
Druglikeness2.8833
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.62963
Fragments1
Non HAtoms27
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Symmetricatoms2
Amides2
StereoCon

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