N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]-2-naphthalen-1-yloxyacetamide
Formula:C31H23N5O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]-2-naphthalen-1-yloxyacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]-2-naphthalen-1-yloxyacetamide |
| MolecularFormula | C31H23N5O3S |
| Smiles | O=C(COc1cccc2ccccc12)N/N=C\c(o1)ccc1Sc1nnc(-c2ccccc2)n1-c1ccccc1 |
| InChI | InChI=1S/C31H23N5O3S/c37-28(21-38-27-17-9-13-22-10-7-8-16-26(22)27)33-32-20-25-18-19-29(39-25)40-31-35-34-30(23-11-3-1-4-12-23)36(31)24-14-5-2-6-15-24/h1-20H,21H2,(H,33,37) |
| InChIK | YLFUFPKHIXGYBB-UHFFFAOYSA-N |
| TotalMolweight | 545.622 |
| Molweight | 545.622 |
| MonoisotopicMass | 545.15216 |
| CLogP | 6.1955 |
| CLogS | -10.491 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 418.53 |
| Relative PSA | 0.25427 |
| PolarSurfaceArea | 119.84 |
| Druglikeness | 7.2207 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 32 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]-2-naphthalen-1-yloxyacetamide | 2 - N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]-2-naphthalen-1-yloxyacetamide
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