4-[(4-chlorophenyl)methyl]-2-(2-phenoxyethyl)-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-phenoxyethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-[(4-chlorophenyl)methyl]-2-(2-phenoxyethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0341 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-2-(2-phenoxyethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 452.92 |
| Molecular Formula: | C22 H17 Cl N4 O3 S |
| Smiles: | C(COc1ccccc1)N1C(N2C(=N1)N(Cc1ccc(cc1)[Cl])C(c1c2ccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.821 |
| logD: | 4.821 |
| logSw: | -4.9927 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.35 |
| InChI Key: | UPTYUQIFCCXLSD-UHFFFAOYSA-N |