1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl [(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl [(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl [(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8006-9757 |
| Compound Name: | 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl [(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate |
| Molecular Weight: | 337.44 |
| Molecular Formula: | C16 H23 N3 O3 S |
| Smiles: | CC1C(NC(=NN=1)SCC(=O)OC1CC2CCC1(C)C2(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4117 |
| logD: | 3.3304 |
| logSw: | -3.5139 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.596 |
| InChI Key: | FGAJNXKYPNIMFS-UHFFFAOYSA-N |