3-tert-butyl-7-[(2-oxo-2-phenylethyl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-tert-butyl-7-[(2-oxo-2-phenylethyl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-tert-butyl-7-[(2-oxo-2-phenylethyl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | Y010-0707 |
| Compound Name: | 3-tert-butyl-7-[(2-oxo-2-phenylethyl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 360.45 |
| Molecular Formula: | C16 H16 N4 O2 S2 |
| Smiles: | CC(C)(C)C1C(N2C(=NN=1)SC(=N2)SCC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.941 |
| logD: | 3.9253 |
| logSw: | -3.9845 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.763 |
| InChI Key: | BBQBGDFXAHCMMI-UHFFFAOYSA-N |