N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
Formula:C20H18N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide |
| MolecularFormula | C20H18N4O2S |
| Smiles | O=C(CSc1ncccn1)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C20H18N4O2S/c25-19(15-27-20-21-11-4-12-22-20)24-23-13-16-7-9-18(10-8-16)26-14-17-5-2-1-3-6-17/h1-13H,14-15H2,(H,24,25) |
| InChIK | NWKDHKAMGUWWHV-UHFFFAOYSA-N |
| TotalMolweight | 378.455 |
| Molweight | 378.455 |
| MonoisotopicMass | 378.115046 |
| CLogP | 3.4414 |
| CLogS | -4.369 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 299.28 |
| Relative PSA | 0.28549 |
| 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 | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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