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

Formula:C25H29N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]-1,4-benzothiazin-3-one is a drug-like molecule.

MolName	4-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]-1,4-benzothiazin-3-one
MolecularFormula	C25H29N3O2S
Smiles	O=C(CCCN1c(cccc2)c2SCC1=O)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C25H29N3O2S/c29-24(13-7-15-28-22-11-4-5-12-23(22)31-20-25(28)30)27-18-16-26(17-19-27)14-6-10-21-8-2-1-3-9-21/h1-6,8-12H,7,13-20H2
InChIK	MZTFWUFQUGETTG-UHFFFAOYSA-N
TotalMolweight	435.59
Molweight	435.59
MonoisotopicMass	435.198047
CLogP	3.0186
CLogS	-3.914
H Acceptors	5
TotalSurfaceArea	340.25
Relative PSA	0.15935
PolarSurfaceArea	69.16
Druglikeness	7.4629
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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