4-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-1,4-benzothiazin-3-one

Formula:C24H27N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-1,4-benzothiazin-3-one is a drug-like molecule.

MolName	4-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-1,4-benzothiazin-3-one
MolecularFormula	C24H27N3O2S
Smiles	O=C(CCN1c(cccc2)c2SCC1=O)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C24H27N3O2S/c28-23(12-14-27-21-10-4-5-11-22(21)30-19-24(27)29)26-17-15-25(16-18-26)13-6-9-20-7-2-1-3-8-20/h1-11H,12-19H2
InChIK	LCRDAMDNMZOOCY-UHFFFAOYSA-N
TotalMolweight	421.563
Molweight	421.563
MonoisotopicMass	421.182397
CLogP	2.5642
CLogS	-3.644
H Acceptors	5
TotalSurfaceArea	326.49
Relative PSA	0.16607
PolarSurfaceArea	69.16
Druglikeness	8.4758
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	4
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - 4-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-1,4-benzothiazin-3-one | 2 - 4-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-1,4-benzothiazin-3-one

Request More Details | 4-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-1,4-benzothiazin-3-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments