4-[(4-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-[(4-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0331 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 450.95 |
| Molecular Formula: | C23 H19 Cl N4 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(N3C(=N2)N(Cc2ccc(cc2)[Cl])C(c2c3ccs2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8186 |
| logD: | 5.8186 |
| logSw: | -5.9169 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.954 |
| InChI Key: | HPOAVLQMNNDQJW-UHFFFAOYSA-N |