2-[(3-bromophenyl)methyl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[(3-bromophenyl)methyl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[(3-bromophenyl)methyl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0211 |
| Compound Name: | 2-[(3-bromophenyl)methyl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 497.37 |
| Molecular Formula: | C22 H17 Br N4 O3 S |
| Smiles: | COc1ccc(CN2C3=NN(Cc4cccc(c4)[Br])C(N3c3ccsc3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7425 |
| logD: | 4.7425 |
| logSw: | -4.6202 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.497 |
| InChI Key: | JKWHJJMVSVJDJB-UHFFFAOYSA-N |