5-methyl-2-(propan-2-yl)cyclohexyl [(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
5-methyl-2-(propan-2-yl)cyclohexyl [(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate
5-methyl-2-(propan-2-yl)cyclohexyl [(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8008-0657 |
| Compound Name: | 5-methyl-2-(propan-2-yl)cyclohexyl [(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate |
| Molecular Weight: | 339.45 |
| Molecular Formula: | C16 H25 N3 O3 S |
| Smiles: | CC1CCC(C(C)C)C(C1)OC(CSC1NC(C(C)=NN=1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9437 |
| logD: | 3.8624 |
| logSw: | -3.7659 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.944 |
| InChI Key: | WRFZJVDMSKNDAC-UHFFFAOYSA-N |