(Z)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]methanimine

Formula:C12H12N4O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]methanimine is a drug-like molecule.

MolName	(Z)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]methanimine
MolecularFormula	C12H12N4O5S2
Smiles	[O-][N+](c1ccc(-c2nc(/C=N\N(CC3)CCS3(=O)=O)cs2)o1)=O
InChI	InChI=1S/C12H12N4O5S2/c17-16(18)11-2-1-10(21-11)12-14-9(8-22-12)7-13-15-3-5-23(19,20)6-4-15/h1-2,7-8H,3-6H2
InChIK	ZSYSVYKAYJMBOF-UHFFFAOYSA-N
TotalMolweight	356.382
Molweight	356.382
MonoisotopicMass	356.024911
CLogP	0.1701
CLogS	-2.646
H Acceptors	9
TotalSurfaceArea	246.26
Relative PSA	0.48526
PolarSurfaceArea	158.21
Druglikeness	-0.4417
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	7
Symmetricatoms	3
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (Z)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]methanimine | 2 - (Z)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]methanimine

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