3-bromo-N-[(Z)-N'-(4-oxo-1,3-benzothiazin-2-yl)carbamimidoyl]benzamide

Formula:C16H11N4O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-bromo-N-[(Z)-N'-(4-oxo-1,3-benzothiazin-2-yl)carbamimidoyl]benzamide is a drug-like molecule.

MolName	3-bromo-N-[(Z)-N'-(4-oxo-1,3-benzothiazin-2-yl)carbamimidoyl]benzamide
MolecularFormula	C16H11N4O2BrS
Smiles	N/C(/NC(c1cccc(Br)c1)=O)=N/C(Sc1c2cccc1)=NC2=O
InChI	InChI=1S/C16H11BrN4O2S/c17-10-5-3-4-9(8-10)13(22)19-15(18)21-16-20-14(23)11-6-1-2-7-12(11)24-16/h1-8H,(H3,18,19,20,21,22,23)
InChIK	MQCDXZLRAWUCEY-UHFFFAOYSA-N
TotalMolweight	403.259
Molweight	403.259
MonoisotopicMass	401.978607
CLogP	2.2717
CLogS	-5.905
H Acceptors	6
H Donors	2
TotalSurfaceArea	257.06
Relative PSA	0.36303
PolarSurfaceArea	122.21
Druglikeness	-0.23232
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	1
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Amides	1
BasicNitrogens	2
StereoCon

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