3-(propylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
Chemical Structure Depiction of
3-(propylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
3-(propylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
Compound characteristics
| Compound ID: | D140-0002 |
| Compound Name: | 3-(propylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione |
| Molecular Weight: | 239.25 |
| Molecular Formula: | C8 H9 N5 O2 S |
| Smiles: | CCCSc1nc2c(C(NC(N2)=O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 0.5788 |
| logD: | -1.3706 |
| logSw: | -1.7841 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.979 |
| InChI Key: | OHBJXBSQANAXSU-UHFFFAOYSA-N |