6-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione
6-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | 8008-7292 |
| Compound Name: | 6-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 280.26 |
| Molecular Formula: | C10 H8 N4 O4 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)SC1C(NC(NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7526 |
| logD: | 0.7331 |
| logSw: | -2.3728 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.436 |
| InChI Key: | IATOGVGBVDKIIY-UHFFFAOYSA-N |