| MolName | 1-(4-fluorophenyl)-3-[(Z)-N'-(4-oxo-1,3-benzothiazin-2-yl)carbamimidoyl]urea |
| MolecularFormula | C16H12N5O2FS |
| Smiles | N/C(/NC(Nc(cc1)ccc1F)=O)=N/C(Sc1c2cccc1)=NC2=O |
| InChI | InChI=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) |
| InChIK | OFNLMENBQFYJDN-UHFFFAOYSA-N |
| TotalMolweight | 357.368 |
| Molweight | 357.368 |
| MonoisotopicMass | 357.069573 |
| CLogP | 1.6412 |
| CLogS | -5.901 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 256.24 |
| Relative PSA | 0.40891 |
| PolarSurfaceArea | 134.24 |
| Druglikeness | 0.27279 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 1-(4-fluorophenyl)-3-[(Z)-N'-(4-oxo-1,3-benzothiazin-2-yl)carbamimidoyl]urea | 2 - 1-(4-fluorophenyl)-3-[(Z)-N'-(4-oxo-1,3-benzothiazin-2-yl)carbamimidoyl]urea