2-naphthalen-1-ylsulfanyl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Formula:C18H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-naphthalen-1-ylsulfanyl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-naphthalen-1-ylsulfanyl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C18H15N3OS |
| Smiles | O=C(CSc1cccc2ccccc12)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C18H15N3OS/c22-18(21-20-12-14-8-10-19-11-9-14)13-23-17-7-3-5-15-4-1-2-6-16(15)17/h1-12H,13H2,(H,21,22) |
| InChIK | UEDYWXZLYNLADQ-UHFFFAOYSA-N |
| TotalMolweight | 321.403 |
| Molweight | 321.403 |
| MonoisotopicMass | 321.093582 |
| CLogP | 3.6079 |
| CLogS | -5.074 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.6 |
| Relative PSA | 0.25624 |
| PolarSurfaceArea | 79.65 |
| Druglikeness | 4.7928 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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