methyl 2-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 2-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
methyl 2-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y502-3050 |
| Compound Name: | methyl 2-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 539.41 |
| Molecular Formula: | C24 H19 Br N4 O4 S |
| Smiles: | Cc1c2c3nc(c4ccc(c(COc5ccc(cc5)[Br])c4)OC)nn3cnc2sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.8105 |
| logD: | 5.8064 |
| logSw: | -5.9179 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.151 |
| InChI Key: | KAUSHDSPYCONNM-UHFFFAOYSA-N |