N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
Formula:C24H20N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide |
| MolecularFormula | C24H20N4O2S |
| Smiles | O=C(CSc1ncccn1)N/N=C\c(cc1)ccc1OCc1cc2ccccc2cc1 |
| InChI | InChI=1S/C24H20N4O2S/c29-23(17-31-24-25-12-3-13-26-24)28-27-15-18-7-10-22(11-8-18)30-16-19-6-9-20-4-1-2-5-21(20)14-19/h1-15H,16-17H2,(H,28,29) |
| InChIK | HORWSGINTYPSNF-UHFFFAOYSA-N |
| TotalMolweight | 428.515 |
| Molweight | 428.515 |
| MonoisotopicMass | 428.130696 |
| CLogP | 4.6358 |
| CLogS | -5.975 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 333.88 |
| Relative PSA | 0.2559 |
| PolarSurfaceArea | 101.77 |
| Druglikeness | 4.4451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide | 2 - N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off