8,9-dimethyl-2-[1-(4-nitro-1H-pyrazol-1-yl)ethyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
8,9-dimethyl-2-[1-(4-nitro-1H-pyrazol-1-yl)ethyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
8,9-dimethyl-2-[1-(4-nitro-1H-pyrazol-1-yl)ethyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-8719 |
| Compound Name: | 8,9-dimethyl-2-[1-(4-nitro-1H-pyrazol-1-yl)ethyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 343.36 |
| Molecular Formula: | C14 H13 N7 O2 S |
| Smiles: | CC(c1nc2c3c(C)c(C)sc3ncn2n1)n1cc(cn1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2472 |
| logD: | 2.24 |
| logSw: | -2.0512 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.082 |
| InChI Key: | BCELRVOYYYVYLL-QMMMGPOBSA-N |