6-(4-methoxyphenyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
Formula:C23H18N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-(4-methoxyphenyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine is a drug-like molecule.
| MolName | 6-(4-methoxyphenyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine |
| MolecularFormula | C23H18N4O |
| Smiles | Cc(cc1)ccc1-c1nnc2n1nc(-c(cc1)ccc1OC)c1c2cccc1 |
| InChI | InChI=1S/C23H18N4O/c1-15-7-9-17(10-8-15)22-24-25-23-20-6-4-3-5-19(20)21(26-27(22)23)16-11-13-18(28-2)14-12-16/h3-14H,1-2H3 |
| InChIK | KDHUQVDJYCGVHO-UHFFFAOYSA-N |
| TotalMolweight | 366.423 |
| Molweight | 366.423 |
| MonoisotopicMass | 366.148061 |
| CLogP | 4.0335 |
| CLogS | -7.464 |
| H Acceptors | 5 |
| TotalSurfaceArea | 283.43 |
| Relative PSA | 0.17944 |
| PolarSurfaceArea | 52.31 |
| Druglikeness | 2.326 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 6-(4-methoxyphenyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine | 2 - 6-(4-methoxyphenyl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
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