| MolName | N'-(2,5-difluorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenecarboximidamide |
| MolecularFormula | C16H13N3O2F2S2 |
| Smiles | O=S(c(cc(cc1)F)c1F)(/N=C(\c1ccccc1)/NC1=NCCS1)=O |
| InChI | InChI=1S/C16H13F2N3O2S2/c17-12-6-7-13(18)14(10-12)25(22,23)21-15(11-4-2-1-3-5-11)20-16-19-8-9-24-16/h1-7,10H,8-9H2,(H,19,20,21) |
| InChIK | TYVLTWWROPXVKF-UHFFFAOYSA-N |
| TotalMolweight | 381.426 |
| Molweight | 381.426 |
| MonoisotopicMass | 381.041723 |
| CLogP | 2.707 |
| CLogS | -4.565 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 263.21 |
| Relative PSA | 0.30603 |
| PolarSurfaceArea | 104.57 |
| Druglikeness | -0.4458 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N'-(2,5-difluorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenecarboximidamide | 2 - N'-(2,5-difluorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenecarboximidamide