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

Formula:C16H10N4O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3,4-dichloro-N-[(Z)-N'-(4-oxo-1,3-benzothiazin-2-yl)carbamimidoyl]benzamide is a drug-like molecule.

MolName3,4-dichloro-N-[(Z)-N'-(4-oxo-1,3-benzothiazin-2-yl)carbamimidoyl]benzamide
MolecularFormulaC16H10N4O2Cl2S
SmilesN/C(/NC(c(cc1)cc(Cl)c1Cl)=O)=N/C(Sc1c2cccc1)=NC2=O
InChIInChI=1S/C16H10Cl2N4O2S/c17-10-6-5-8(7-11(10)18)13(23)20-15(19)22-16-21-14(24)9-3-1-2-4-12(9)25-16/h1-7H,(H3,19,20,21,22,23,24)
InChIKMAKYFWVJPOUJEC-UHFFFAOYSA-N
TotalMolweight393.253
Molweight393.253
MonoisotopicMass391.99015
CLogP2.7585
CLogS-6.543
H Acceptors6
H Donors2
TotalSurfaceArea269.27
Relative PSA0.34657
PolarSurfaceArea122.21
Druglikeness1.6274
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Fragments1
Non HAtoms25
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond1
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Amides1
BasicNitrogens2
StereoCon

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