butyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]butanoate
Chemical Structure Depiction of
butyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]butanoate
butyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | 2279-5402 |
| Compound Name: | butyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]butanoate |
| Molecular Weight: | 287.33 |
| Molecular Formula: | C11 H17 N3 O4 S |
| Smiles: | CCCCOC(C(CC)SC1C(NC(NN=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8557 |
| logD: | 1.8298 |
| logSw: | -2.4611 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.373 |
| InChI Key: | LTDNSBOCLLXFTF-ZETCQYMHSA-N |