N-[(Z)-naphthalen-1-ylmethylideneamino]-2-quinolin-2-ylsulfanylacetamide
Formula:C22H17N3OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-quinolin-2-ylsulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-2-quinolin-2-ylsulfanylacetamide |
| MolecularFormula | C22H17N3OS |
| Smiles | O=C(CSc1nc2ccccc2cc1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C22H17N3OS/c26-21(15-27-22-13-12-17-7-2-4-11-20(17)24-22)25-23-14-18-9-5-8-16-6-1-3-10-19(16)18/h1-14H,15H2,(H,25,26) |
| InChIK | KLVWDVKOMHWTHX-UHFFFAOYSA-N |
| TotalMolweight | 371.463 |
| Molweight | 371.463 |
| MonoisotopicMass | 371.109232 |
| CLogP | 5.0222 |
| CLogS | -6.338 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.2 |
| Relative PSA | 0.22526 |
| PolarSurfaceArea | 79.65 |
| Druglikeness | 4.7928 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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