2-[(2,5-dimethylphenyl)methyl]-4-[(thiophen-2-yl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[(2,5-dimethylphenyl)methyl]-4-[(thiophen-2-yl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[(2,5-dimethylphenyl)methyl]-4-[(thiophen-2-yl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0398 |
| Compound Name: | 2-[(2,5-dimethylphenyl)methyl]-4-[(thiophen-2-yl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C21 H18 N4 O2 S2 |
| Smiles: | Cc1ccc(C)c(CN2C(N3C(=N2)N(Cc2cccs2)C(c2c3ccs2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8803 |
| logD: | 4.8803 |
| logSw: | -4.6175 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.972 |
| InChI Key: | JTCYJYLFTIFIMQ-UHFFFAOYSA-N |