2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)acetamide

Formula:C26H29N2O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)acetamide is not a drug-like molecule.

MolName	2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)acetamide
MolecularFormula	C26H29N2O2ClS2
Smiles	O=C(CN(c(cccc1)c1S/C1=C\c(cc2)ccc2Cl)C1=O)NCCCSC1CCCCC1
InChI	InChI=1S/C26H29ClN2O2S2/c27-20-13-11-19(12-14-20)17-24-26(31)29(22-9-4-5-10-23(22)33-24)18-25(30)28-15-6-16-32-21-7-2-1-3-8-21/h4-5,9-14,17,21H,1-3,6-8,15-16,18H2,(H,28,30)
InChIK	LHOIGVQZNOMANN-UHFFFAOYSA-N
TotalMolweight	501.113
Molweight	501.113
MonoisotopicMass	500.135895
CLogP	4.9424
CLogS	-7.162
H Acceptors	4
H Donors	1
TotalSurfaceArea	374.73
Relative PSA	0.203
PolarSurfaceArea	100.01
Druglikeness	0.9525
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	4
Amides	2
StereoCon

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1 - 2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)acetamide | 2 - 2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)acetamide

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