2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]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-[(4-methoxyphenyl)methyl]acetamide
2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F798-0377 |
| 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-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C21 H23 N5 O3 S2 |
| Smiles: | CCCCN1C(c2c(ccs2)n2c1nnc2SCC(NCc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4328 |
| logD: | 3.4328 |
| logSw: | -3.7102 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.596 |
| InChI Key: | KGILKJXWTFYWOS-UHFFFAOYSA-N |