N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
Formula:C21H19N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide |
| MolecularFormula | C21H19N3O2S |
| Smiles | O=C(CSc1ncccc1)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C21H19N3O2S/c25-20(16-27-21-12-6-7-13-22-21)24-23-14-18-10-4-5-11-19(18)26-15-17-8-2-1-3-9-17/h1-14H,15-16H2,(H,24,25) |
| InChIK | UPBXOIHEPDBPDU-UHFFFAOYSA-N |
| TotalMolweight | 377.467 |
| Molweight | 377.467 |
| MonoisotopicMass | 377.119797 |
| CLogP | 3.859 |
| CLogS | -4.572 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 300.52 |
| Relative PSA | 0.2478 |
| PolarSurfaceArea | 88.88 |
| Druglikeness | 4.4451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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