3-(ethylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
Chemical Structure Depiction of
3-(ethylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
3-(ethylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
Compound characteristics
| Compound ID: | D140-0001 |
| Compound Name: | 3-(ethylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione |
| Molecular Weight: | 225.23 |
| Molecular Formula: | C7 H7 N5 O2 S |
| Smiles: | CCSc1nc2c(C(NC(N2)=O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 0.2455 |
| logD: | -1.7038 |
| logSw: | -1.8574 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.979 |
| InChI Key: | WXWKJZYWQWDKEB-UHFFFAOYSA-N |