6-(heptylsulfanyl)-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-(heptylsulfanyl)-1,2,4-triazine-3,5(2H,4H)-dione
6-(heptylsulfanyl)-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | 2279-3476 |
| Compound Name: | 6-(heptylsulfanyl)-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 243.32 |
| Molecular Formula: | C10 H17 N3 O2 S |
| Smiles: | CCCCCCCSC1C(NC(NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6824 |
| logD: | 2.6366 |
| logSw: | -2.8522 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.326 |
| InChI Key: | QGAQOPDECLOEMG-UHFFFAOYSA-N |