2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C16H15N7OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N-[(Z)-[(E)-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)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C16H15N7OS |
| Smiles | Nc1cc2ncnn2c(SCC(N/N=C\C=C\c2ccccc2)=O)n1 |
| InChI | InChI=1S/C16H15N7OS/c17-13-9-14-18-11-20-23(14)16(21-13)25-10-15(24)22-19-8-4-7-12-5-2-1-3-6-12/h1-9,11H,10,17H2,(H,22,24) |
| InChIK | ASQYGDLXDAUASZ-UHFFFAOYSA-N |
| TotalMolweight | 353.409 |
| Molweight | 353.409 |
| MonoisotopicMass | 353.105878 |
| CLogP | 1.1279 |
| CLogS | -5.124 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 274.79 |
| Relative PSA | 0.39896 |
| PolarSurfaceArea | 135.86 |
| Druglikeness | 6.4498 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off