2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F798-0358 |
| Compound Name: | 2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide |
| Molecular Weight: | 477.99 |
| Molecular Formula: | C20 H20 Cl N5 O3 S2 |
| Smiles: | CCCCN1C(c2c(ccs2)n2c1nnc2SCC(Nc1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.022 |
| logD: | 4.019 |
| logSw: | -4.4169 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.662 |
| InChI Key: | AERJDTBLQJQPSA-UHFFFAOYSA-N |