2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
Formula:C16H14N7OBrS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C16H14N7OBrS |
| Smiles | Nc1cc2ncnn2c(SCC(N/N=C\C(\Br)=C\c2ccccc2)=O)n1 |
| InChI | InChI=1S/C16H14BrN7OS/c17-12(6-11-4-2-1-3-5-11)8-20-23-15(25)9-26-16-22-13(18)7-14-19-10-21-24(14)16/h1-8,10H,9,18H2,(H,23,25) |
| InChIK | CLOXJEWROPOQMG-UHFFFAOYSA-N |
| TotalMolweight | 432.305 |
| Molweight | 432.305 |
| MonoisotopicMass | 431.016389 |
| CLogP | 1.7205 |
| CLogS | -5.957 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 291.63 |
| Relative PSA | 0.37592 |
| PolarSurfaceArea | 135.86 |
| Druglikeness | 1.2737 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
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