1-{[2-(6-tert-butyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazinylidene]methyl}naphthalen-2-yl 2-methoxybenzoate
Chemical Structure Depiction of
1-{[2-(6-tert-butyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazinylidene]methyl}naphthalen-2-yl 2-methoxybenzoate
1-{[2-(6-tert-butyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazinylidene]methyl}naphthalen-2-yl 2-methoxybenzoate
Compound characteristics
| Compound ID: | 8014-0176 |
| Compound Name: | 1-{[2-(6-tert-butyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazinylidene]methyl}naphthalen-2-yl 2-methoxybenzoate |
| Molecular Weight: | 471.52 |
| Molecular Formula: | C26 H25 N5 O4 |
| Smiles: | CC(C)(C)C1C(NC(N/N=C/c2c(ccc3ccccc23)OC(c2ccccc2OC)=O)=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8064 |
| logD: | 5.788 |
| logSw: | -6.731 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.172 |
| InChI Key: | PSCMTJQLCBIMQG-UHFFFAOYSA-N |