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

Formula:C16H12N5O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-fluorophenyl)-3-[(Z)-N'-(4-oxo-1,3-benzothiazin-2-yl)carbamimidoyl]urea is a drug-like molecule.

MolName1-(4-fluorophenyl)-3-[(Z)-N'-(4-oxo-1,3-benzothiazin-2-yl)carbamimidoyl]urea
MolecularFormulaC16H12N5O2FS
SmilesN/C(/NC(Nc(cc1)ccc1F)=O)=N/C(Sc1c2cccc1)=NC2=O
InChIInChI=1S/C16H12FN5O2S/c17-9-5-7-10(8-6-9)19-15(24)21-14(18)22-16-20-13(23)11-3-1-2-4-12(11)25-16/h1-8H,(H4,18,19,20,21,22,23,24)
InChIKOFNLMENBQFYJDN-UHFFFAOYSA-N
TotalMolweight357.368
Molweight357.368
MonoisotopicMass357.069573
CLogP1.6412
CLogS-5.901
H Acceptors7
H Donors3
TotalSurfaceArea256.24
Relative PSA0.40891
PolarSurfaceArea134.24
Druglikeness0.27279
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.64
Fragments1
Non HAtoms25
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond1
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms2
Amides2
BasicNitrogens2
StereoCon

Request More Details | 1-(4-fluorophenyl)-3-[(Z)-N'-(4-oxo-1,3-benzothiazin-2-yl)carbamimidoyl]urea


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments