2-[(4-chlorophenyl)methyl]-4-[(4-propoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[(4-chlorophenyl)methyl]-4-[(4-propoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[(4-chlorophenyl)methyl]-4-[(4-propoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0475 |
| Compound Name: | 2-[(4-chlorophenyl)methyl]-4-[(4-propoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 480.97 |
| Molecular Formula: | C24 H21 Cl N4 O3 S |
| Smiles: | CCCOc1ccc(CN2C3=NN(Cc4ccc(cc4)[Cl])C(N3c3ccsc3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6032 |
| logD: | 5.6032 |
| logSw: | -5.8196 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.371 |
| InChI Key: | PBOLVAADDVVZLL-UHFFFAOYSA-N |