4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

Formula:C28H28N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide is a drug-like molecule.

MolName	4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
MolecularFormula	C28H28N4O2S
Smiles	O=C(c1ccc(/C=C2/Sc(cccc3)c3NC2=O)cc1)NCCN(CC1)CCN1c1ccccc1
InChI	InChI=1S/C28H28N4O2S/c33-27(29-14-15-31-16-18-32(19-17-31)23-6-2-1-3-7-23)22-12-10-21(11-13-22)20-26-28(34)30-24-8-4-5-9-25(24)35-26/h1-13,20H,14-19H2,(H,29,33)(H,30,34)
InChIK	MCPIWAQMCYFFMV-UHFFFAOYSA-N
TotalMolweight	484.622
Molweight	484.622
MonoisotopicMass	484.193296
CLogP	2.9692
CLogS	-5.256
H Acceptors	6
H Donors	2
TotalSurfaceArea	369.56
Relative PSA	0.19913
PolarSurfaceArea	89.98
Druglikeness	7.8741
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65714
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	6
Amides	2
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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