ethyl 2-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
ethyl 2-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
ethyl 2-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y502-2306 |
| Compound Name: | ethyl 2-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 429.46 |
| Molecular Formula: | C18 H19 N7 O4 S |
| Smiles: | CCOC(c1c(C)c2c3nc(C(C)n4c(C)c(c(C)n4)[N+]([O-])=O)nn3cnc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6147 |
| logD: | 2.6085 |
| logSw: | -2.7382 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 99.295 |
| InChI Key: | CKKCCWNTECEYOB-NSHDSACASA-N |