| MolName | 3,4-dichloro-N-[(Z)-N'-(4-oxo-1,3-benzothiazin-2-yl)carbamimidoyl]benzamide |
| MolecularFormula | C16H10N4O2Cl2S |
| Smiles | N/C(/NC(c(cc1)cc(Cl)c1Cl)=O)=N/C(Sc1c2cccc1)=NC2=O |
| InChI | InChI=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) |
| InChIK | MAKYFWVJPOUJEC-UHFFFAOYSA-N |
| TotalMolweight | 393.253 |
| Molweight | 393.253 |
| MonoisotopicMass | 391.99015 |
| CLogP | 2.7585 |
| CLogS | -6.543 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 269.27 |
| Relative PSA | 0.34657 |
| PolarSurfaceArea | 122.21 |
| Druglikeness | 1.6274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| 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 |
| Amides | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 3,4-dichloro-N-[(Z)-N'-(4-oxo-1,3-benzothiazin-2-yl)carbamimidoyl]benzamide | 2 - 3,4-dichloro-N-[(Z)-N'-(4-oxo-1,3-benzothiazin-2-yl)carbamimidoyl]benzamide