6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione
6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | 2279-5376 |
| Compound Name: | 6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 308.27 |
| Molecular Formula: | C11 H8 N4 O5 S |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)SC1C(NC(NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8106 |
| logD: | 0.7617 |
| logSw: | -2.4479 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.683 |
| InChI Key: | VWXCMSJVTMDYIS-UHFFFAOYSA-N |