ethyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-7846 |
| Compound Name: | ethyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C18 H20 N4 O4 S |
| Smiles: | CCOC(C1C(c2ccccc2)n2c(NC=1C)nc(n2)SCC(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9161 |
| logD: | 2.8151 |
| logSw: | -3.2027 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.104 |
| InChI Key: | QDUMCGXOVQOIQG-HNNXBMFYSA-N |