2-[1-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[1-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[1-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-1572 |
| Compound Name: | 2-[1-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 399.43 |
| Molecular Formula: | C17 H17 N7 O3 S |
| Smiles: | CC(c1nc2c3c4CCCCc4sc3N=Cn2n1)n1cc(c(n1)OC)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.767 |
| logD: | 2.7655 |
| logSw: | -3.1912 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 89.315 |
| InChI Key: | DAUFAZMXPTXGTG-VIFPVBQESA-N |