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

Formula:C29H29N4O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[3-[4-(3-chlorophenyl)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-(3-chlorophenyl)piperazin-1-yl]propyl]-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide
MolecularFormula	C29H29N4O2ClS
Smiles	O=C(c1ccc(/C=C2/Sc(cccc3)c3NC2=O)cc1)NCCCN(CC1)CCN1c1cccc(Cl)c1
InChI	InChI=1S/C29H29ClN4O2S/c30-23-5-3-6-24(20-23)34-17-15-33(16-18-34)14-4-13-31-28(35)22-11-9-21(10-12-22)19-27-29(36)32-25-7-1-2-8-26(25)37-27/h1-3,5-12,19-20H,4,13-18H2,(H,31,35)(H,32,36)
InChIK	IFOMGFNIXQFTLM-UHFFFAOYSA-N
TotalMolweight	533.094
Molweight	533.094
MonoisotopicMass	532.169973
CLogP	4.0296
CLogS	-6.262
H Acceptors	6
H Donors	2
TotalSurfaceArea	398.74
Relative PSA	0.18456
PolarSurfaceArea	89.98
Druglikeness	9.5503
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64865
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	4
Amides	2
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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

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