2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y500-4106 |
| Compound Name: | 2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 421.44 |
| Molecular Formula: | C19 H15 N7 O3 S |
| Smiles: | C1CCc2c(C1)c1c3nc(c4ccc(Cn5cc(cn5)[N+]([O-])=O)o4)nn3C=Nc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.1352 |
| logD: | 3.1352 |
| logSw: | -3.3491 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 89.304 |
| InChI Key: | AOHPHDHOXUMCRA-UHFFFAOYSA-N |