1-[(2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetyl]piperidine-4-carboxamide

Formula:C16H17N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetyl]piperidine-4-carboxamide is a drug-like molecule.

MolName	1-[(2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetyl]piperidine-4-carboxamide
MolecularFormula	C16H17N3O3S
Smiles	NC(C(CC1)CCN1C(/C=C1\Sc(cccc2)c2NC1=O)=O)=O
InChI	InChI=1S/C16H17N3O3S/c17-15(21)10-5-7-19(8-6-10)14(20)9-13-16(22)18-11-3-1-2-4-12(11)23-13/h1-4,9-10H,5-8H2,(H2,17,21)(H,18,22)
InChIK	MOHZVYTWPUMIDV-UHFFFAOYSA-N
TotalMolweight	331.395
Molweight	331.395
MonoisotopicMass	331.099062
CLogP	-0.1873
CLogS	-2.958
H Acceptors	6
H Donors	2
TotalSurfaceArea	239.53
Relative PSA	0.36275
PolarSurfaceArea	117.8
Druglikeness	5.7856
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
Amides	3
StereoCon

Click to Load Molecule:

1 - 1-[(2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetyl]piperidine-4-carboxamide | 2 - 1-[(2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetyl]piperidine-4-carboxamide

Request More Details | 1-[(2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetyl]piperidine-4-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments