methyl 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
methyl 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y502-3057 |
| Compound Name: | methyl 2-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 483.34 |
| Molecular Formula: | C20 H15 Br N6 O2 S |
| Smiles: | Cc1c2c3nc(c4ccc(Cn5cc(cn5)[Br])cc4)nn3cnc2sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9826 |
| logD: | 3.9785 |
| logSw: | -4.2096 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.799 |
| InChI Key: | BCMXWYWZBSOBMX-UHFFFAOYSA-N |