N-[(Z)-benzylideneamino]-2-(5-chloropyrimidin-2-yl)sulfanylacetamide
Formula:C13H11N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-(5-chloropyrimidin-2-yl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(5-chloropyrimidin-2-yl)sulfanylacetamide |
| MolecularFormula | C13H11N4OClS |
| Smiles | O=C(CSc(nc1)ncc1Cl)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C13H11ClN4OS/c14-11-7-15-13(16-8-11)20-9-12(19)18-17-6-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19) |
| InChIK | ZLUVPZCRNWOBDZ-UHFFFAOYSA-N |
| TotalMolweight | 306.776 |
| Molweight | 306.776 |
| MonoisotopicMass | 306.034208 |
| CLogP | 2.6993 |
| CLogS | -3.764 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 231.18 |
| Relative PSA | 0.32633 |
| PolarSurfaceArea | 92.54 |
| Druglikeness | 4.8128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-benzylideneamino]-2-(5-chloropyrimidin-2-yl)sulfanylacetamide | 2 - N-[(Z)-benzylideneamino]-2-(5-chloropyrimidin-2-yl)sulfanylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off