2-butyl-4-[(4-ethylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-butyl-4-[(4-ethylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-butyl-4-[(4-ethylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0452 |
| Compound Name: | 2-butyl-4-[(4-ethylphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | CCCCN1C(N2C(=N1)N(Cc1ccc(CC)cc1)C(c1c2ccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7729 |
| logD: | 4.7729 |
| logSw: | -4.3066 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.204 |
| InChI Key: | NEWMFCCJYIDBIY-UHFFFAOYSA-N |