9-(2-methylbutan-2-yl)-2-[(5-methyl-3-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-(2-methylbutan-2-yl)-2-[(5-methyl-3-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-(2-methylbutan-2-yl)-2-[(5-methyl-3-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: | Y502-3030 |
| Compound Name: | 9-(2-methylbutan-2-yl)-2-[(5-methyl-3-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: | 439.54 |
| Molecular Formula: | C21 H25 N7 O2 S |
| Smiles: | CCC(C)(C)C1CCc2c3c4nc(Cn5c(C)cc(n5)[N+]([O-])=O)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4123 |
| logD: | 3.4122 |
| logSw: | -3.7161 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.612 |
| InChI Key: | MEASZEVNPOJFIP-CYBMUJFWSA-N |