2-[5-[(4,5-dichloroimidazol-1-yl)methyl]tetrazol-2-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C12H10N8OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[5-[(4,5-dichloroimidazol-1-yl)methyl]tetrazol-2-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[5-[(4,5-dichloroimidazol-1-yl)methyl]tetrazol-2-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C12H10N8OCl2S |
| Smiles | O=C(Cn1nnc(Cn(cn2)c(Cl)c2Cl)n1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C12H10Cl2N8OS/c13-11-12(14)21(7-15-11)5-9-17-20-22(19-9)6-10(23)18-16-4-8-2-1-3-24-8/h1-4,7H,5-6H2,(H,18,23) |
| InChIK | FLLOPFYFCBPERN-UHFFFAOYSA-N |
| TotalMolweight | 385.238 |
| Molweight | 385.238 |
| MonoisotopicMass | 384.007531 |
| CLogP | 1.6833 |
| CLogS | -1.204 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 274.49 |
| Relative PSA | 0.41528 |
| PolarSurfaceArea | 131.12 |
| Druglikeness | 3.9011 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[5-[(4,5-dichloroimidazol-1-yl)methyl]tetrazol-2-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[5-[(4,5-dichloroimidazol-1-yl)methyl]tetrazol-2-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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