3-(ethylsulfanyl)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
Chemical Structure Depiction of
3-(ethylsulfanyl)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
3-(ethylsulfanyl)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
Compound characteristics
| Compound ID: | D140-0004 |
| Compound Name: | 3-(ethylsulfanyl)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione |
| Molecular Weight: | 253.28 |
| Molecular Formula: | C9 H11 N5 O2 S |
| Smiles: | CCSc1nc2c(C(N(C)C(N2C)=O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 0.983 |
| logD: | 0.983 |
| logSw: | -1.3577 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.906 |
| InChI Key: | YMBKKPUNJHIQOY-UHFFFAOYSA-N |