9-tert-butyl-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
9-tert-butyl-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
9-tert-butyl-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: | Y500-3617 |
| Compound Name: | 9-tert-butyl-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: | 441.51 |
| Molecular Formula: | C20 H23 N7 O3 S |
| Smiles: | CC(C)(C)C1CCc2c3c4nc(Cn5cc(c(n5)OC)[N+]([O-])=O)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8117 |
| logD: | 3.8116 |
| logSw: | -4.304 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 90.502 |
| InChI Key: | RKHJOPWESJOQCE-LLVKDONJSA-N |