6-{[(2-fluoro-6-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-{[(2-fluoro-6-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione
6-{[(2-fluoro-6-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | 2279-5371 |
| Compound Name: | 6-{[(2-fluoro-6-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 298.25 |
| Molecular Formula: | C10 H7 F N4 O4 S |
| Smiles: | C(c1c(cccc1F)[N+]([O-])=O)SC1C(NC(NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1828 |
| logD: | 1.1633 |
| logSw: | -2.3264 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.135 |
| InChI Key: | MZURROZYMGEZGH-UHFFFAOYSA-N |