2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y500-4105 |
| Compound Name: | 2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 385.4 |
| Molecular Formula: | C16 H15 N7 O3 S |
| Smiles: | COc1c(cn(Cc2nc3c4c5CCCCc5sc4N=Cn3n2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2545 |
| logD: | 2.2537 |
| logSw: | -2.2188 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 90.502 |
| InChI Key: | BFVIHISHWKTFOE-UHFFFAOYSA-N |