4-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]-1,4-benzothiazin-3-one

Formula:C26H26N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]-1,4-benzothiazin-3-one is a drug-like molecule.

MolName	4-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]-1,4-benzothiazin-3-one
MolecularFormula	C26H26N4O2S2
Smiles	O=C(c1csc(CN2c(cccc3)c3SCC2=O)n1)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C26H26N4O2S2/c31-25-19-33-23-11-5-4-10-22(23)30(25)17-24-27-21(18-34-24)26(32)29-15-13-28(14-16-29)12-6-9-20-7-2-1-3-8-20/h1-11,18H,12-17,19H2
InChIK	MXCUHYAJIUHLQB-UHFFFAOYSA-N
TotalMolweight	490.65
Molweight	490.65
MonoisotopicMass	490.149716
CLogP	2.7671
CLogS	-3.989
H Acceptors	6
TotalSurfaceArea	367.19
Relative PSA	0.23299
PolarSurfaceArea	110.29
Druglikeness	10.086
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	9
Symmetricatoms	4
Amides	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - 4-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]-1,4-benzothiazin-3-one | 2 - 4-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]-1,4-benzothiazin-3-one

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