4-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)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-[(4-methylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0334 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 436.92 |
| Molecular Formula: | C22 H17 Cl N4 O2 S |
| Smiles: | Cc1ccc(CN2C(N3C(=N2)N(Cc2ccc(cc2)[Cl])C(c2c3ccs2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0673 |
| logD: | 5.0673 |
| logSw: | -5.0937 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.954 |
| InChI Key: | IPIULYHLCCNFCP-UHFFFAOYSA-N |