4-[(thiophen-2-yl)methyl]-2-[(2,4,6-trimethylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
4-[(thiophen-2-yl)methyl]-2-[(2,4,6-trimethylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-[(thiophen-2-yl)methyl]-2-[(2,4,6-trimethylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0406 |
| Compound Name: | 4-[(thiophen-2-yl)methyl]-2-[(2,4,6-trimethylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C22 H20 N4 O2 S2 |
| Smiles: | Cc1cc(C)c(CN2C(N3C(=N2)N(Cc2cccs2)C(c2c3ccs2)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2516 |
| logD: | 5.2516 |
| logSw: | -5.0678 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.972 |
| InChI Key: | FDDRQKAIHWUOLL-UHFFFAOYSA-N |