| MolName | 4-(diethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide |
| MolecularFormula | C18H23N3O3S2 |
| Smiles | CCN(CC)S(c(cc1)ccc1C(Nc1nc(CCCC2)c2s1)=O)(=O)=O |
| InChI | InChI=1S/C18H23N3O3S2/c1-3-21(4-2)26(23,24)14-11-9-13(10-12-14)17(22)20-18-19-15-7-5-6-8-16(15)25-18/h9-12H,3-8H2,1-2H3,(H,19,20,22) |
| InChIK | WOLVLXHCJBPEKX-UHFFFAOYSA-N |
| TotalMolweight | 393.531 |
| Molweight | 393.531 |
| MonoisotopicMass | 393.118082 |
| CLogP | 3.7566 |
| CLogS | -3.826 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 289.39 |
| Relative PSA | 0.30395 |
| PolarSurfaceArea | 115.99 |
| Druglikeness | 0.20679 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-(diethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide | 2 - 4-(diethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide