N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C31H23N5O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide 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-ylacetamide |
| MolecularFormula | C31H23N5O2S |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(o1)ccc1Sc1nnc(-c2ccccc2)n1-c1ccccc1 |
| InChI | InChI=1S/C31H23N5O2S/c37-28(20-24-14-9-13-22-10-7-8-17-27(22)24)33-32-21-26-18-19-29(38-26)39-31-35-34-30(23-11-3-1-4-12-23)36(31)25-15-5-2-6-16-25/h1-19,21H,20H2,(H,33,37) |
| InChIK | ARNJCKDJQYHZMC-UHFFFAOYSA-N |
| TotalMolweight | 529.623 |
| Molweight | 529.623 |
| MonoisotopicMass | 529.157245 |
| CLogP | 6.6187 |
| CLogS | -10.676 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 408.53 |
| Relative PSA | 0.23602 |
| PolarSurfaceArea | 110.61 |
| Druglikeness | 7.2709 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 32 |
| Sp3Atoms | 2 |
| 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-ylacetamide | 2 - N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide
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