2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C20H16N4OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C20H16N4OS |
| Smiles | O=C(CSc1nc(cccc2)c2[nH]1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C20H16N4OS/c25-19(13-26-20-22-17-10-3-4-11-18(17)23-20)24-21-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-12H,13H2,(H,22,23)(H,24,25) |
| InChIK | OIDFYYSBCONWSY-UHFFFAOYSA-N |
| TotalMolweight | 360.44 |
| Molweight | 360.44 |
| MonoisotopicMass | 360.104481 |
| CLogP | 4.4505 |
| CLogS | -5.849 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 275.77 |
| Relative PSA | 0.28451 |
| PolarSurfaceArea | 95.44 |
| Druglikeness | 4.9648 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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