(2E)-2-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one

Formula:C25H22N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one is a drug-like molecule.

MolName	(2E)-2-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one
MolecularFormula	C25H22N4O2S
Smiles	O=C(c1ccc(/C=C2/Sc(cccc3)c3NC2=O)cc1)N(CC1)CCN1c1ncccc1
InChI	InChI=1S/C25H22N4O2S/c30-24-22(32-21-6-2-1-5-20(21)27-24)17-18-8-10-19(11-9-18)25(31)29-15-13-28(14-16-29)23-7-3-4-12-26-23/h1-12,17H,13-16H2,(H,27,30)
InChIK	NZUHETUAJWCMFD-UHFFFAOYSA-N
TotalMolweight	442.542
Molweight	442.542
MonoisotopicMass	442.146346
CLogP	2.8864
CLogS	-5.201
H Acceptors	6
H Donors	1
TotalSurfaceArea	329.34
Relative PSA	0.22196
PolarSurfaceArea	90.84
Druglikeness	8.2647
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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