3-[(6E)-6-benzylidene-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide
Formula:C20H14N4O2Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
3-[(6E)-6-benzylidene-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide is a drug-like molecule.
| MolName | 3-[(6E)-6-benzylidene-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide |
| MolecularFormula | C20H14N4O2Cl2S |
| Smiles | O=C(CCc(n1C2=O)nnc1S/C2=C/c1ccccc1)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C20H14Cl2N4O2S/c21-13-6-7-14(22)15(11-13)23-18(27)9-8-17-24-25-20-26(17)19(28)16(29-20)10-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,23,27) |
| InChIK | UACMQTLRFLWSIU-UHFFFAOYSA-N |
| TotalMolweight | 445.329 |
| Molweight | 445.329 |
| MonoisotopicMass | 444.02145 |
| CLogP | 4.378 |
| CLogS | -5.377 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 313.52 |
| Relative PSA | 0.26742 |
| PolarSurfaceArea | 102.18 |
| Druglikeness | 3.757 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 3-[(6E)-6-benzylidene-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide | 2 - 3-[(6E)-6-benzylidene-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide
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