7,9-dimethyl-2-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7,9-dimethyl-2-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7,9-dimethyl-2-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y500-7451 |
| Compound Name: | 7,9-dimethyl-2-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 394.41 |
| Molecular Formula: | C17 H14 N8 O2 S |
| Smiles: | Cc1cc(C)nc2c1c1c(c3nc(CCn4cc(cn4)[N+]([O-])=O)nn3cn1)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.3957 |
| logD: | 2.2502 |
| logSw: | -2.17 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 89.155 |
| InChI Key: | OKCZNPQAPQBFSK-UHFFFAOYSA-N |