methyl 2-{[(6-bromonaphthalen-2-yl)oxy]methyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 2-{[(6-bromonaphthalen-2-yl)oxy]methyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
methyl 2-{[(6-bromonaphthalen-2-yl)oxy]methyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y502-3264 |
| Compound Name: | methyl 2-{[(6-bromonaphthalen-2-yl)oxy]methyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 483.34 |
| Molecular Formula: | C21 H15 Br N4 O3 S |
| Smiles: | Cc1c2c3nc(COc4ccc5cc(ccc5c4)[Br])nn3cnc2sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.0548 |
| logD: | 5.0532 |
| logSw: | -5.3155 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.511 |
| InChI Key: | QPYXJXNTBBPEFN-UHFFFAOYSA-N |