| MolName | (5Z)-3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one |
| MolecularFormula | C23H19N3O2 |
| Smiles | O=C1NNC(c2ccccc2)=N/C1=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C23H19N3O2/c27-23-21(24-22(25-26-23)19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)28-16-18-7-3-1-4-8-18/h1-15H,16H2,(H,24,25)(H,26,27) |
| InChIK | FHYINIXDXFRRTJ-UHFFFAOYSA-N |
| TotalMolweight | 369.423 |
| Molweight | 369.423 |
| MonoisotopicMass | 369.147727 |
| CLogP | 2.4967 |
| CLogS | -5.361 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 291.39 |
| Relative PSA | 0.19723 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | 3.0078 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one | 2 - (5Z)-3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one