4-[5-[(Z)-[6-oxo-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]furan-2-yl]benzenesulfonamide
Formula:C22H16N4O5S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-[6-oxo-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]furan-2-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[5-[(Z)-[6-oxo-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C22H16N4O5S2 |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=C2\Sc3nc(COc4ccccc4)nn3C2=O)o1)(=O)=O |
| InChI | InChI=1S/C22H16N4O5S2/c23-33(28,29)17-9-6-14(7-10-17)18-11-8-16(31-18)12-19-21(27)26-22(32-19)24-20(25-26)13-30-15-4-2-1-3-5-15/h1-12H,13H2,(H2,23,28,29) |
| InChIK | FTPZZGPNXNWLCI-UHFFFAOYSA-N |
| TotalMolweight | 480.524 |
| Molweight | 480.524 |
| MonoisotopicMass | 480.056211 |
| CLogP | 2.6529 |
| CLogS | -5.389 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 336.26 |
| Relative PSA | 0.37858 |
| PolarSurfaceArea | 163.99 |
| Druglikeness | 6.9366 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 4-[5-[(Z)-[6-oxo-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(Z)-[6-oxo-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]furan-2-yl]benzenesulfonamide
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