9-ethyl-8-methyl-2-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
9-ethyl-8-methyl-2-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-ethyl-8-methyl-2-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-9148 |
| Compound Name: | 9-ethyl-8-methyl-2-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C20 H17 N7 O2 S |
| Smiles: | CCc1c2c3nc(c4ccc(Cn5cc(cn5)[N+]([O-])=O)cc4)nn3cnc2sc1C |
| Stereo: | ACHIRAL |
| logP: | 4.0071 |
| logD: | 4.0066 |
| logSw: | -4.2333 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.006 |
| InChI Key: | DGGKFNYHSUHZRZ-UHFFFAOYSA-N |