N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide

Formula:C29H29N4O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide is not a drug-like molecule.

MolName	N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide
MolecularFormula	C29H29N4O2FS
Smiles	O=C(c1ccc(/C=C2/Sc(cccc3)c3NC2=O)cc1)NCCCN(CC1)CCN1c(cc1)ccc1F
InChI	InChI=1S/C29H29FN4O2S/c30-23-10-12-24(13-11-23)34-18-16-33(17-19-34)15-3-14-31-28(35)22-8-6-21(7-9-22)20-27-29(36)32-25-4-1-2-5-26(25)37-27/h1-2,4-13,20H,3,14-19H2,(H,31,35)(H,32,36)
InChIK	DPLMFLOSKNTLPO-UHFFFAOYSA-N
TotalMolweight	516.639
Molweight	516.639
MonoisotopicMass	516.199524
CLogP	3.5244
CLogS	-5.84
H Acceptors	6
H Donors	2
TotalSurfaceArea	389.67
Relative PSA	0.18885
PolarSurfaceArea	89.98
Druglikeness	8.2
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.67568
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	9
Symmetricatoms	6
Amides	2
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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1 - N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide | 2 - N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide

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