N-(4-ethoxyphenyl)-2-({5-oxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-2-({5-oxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
N-(4-ethoxyphenyl)-2-({5-oxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | F798-0504 |
| Compound Name: | N-(4-ethoxyphenyl)-2-({5-oxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C22 H19 N5 O3 S3 |
| Smiles: | CCOc1ccc(cc1)NC(CSc1nnc2N(Cc3cccs3)C(c3c(ccs3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1329 |
| logD: | 4.1329 |
| logSw: | -3.9912 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.622 |
| InChI Key: | MNGRVJHSMIEIIY-UHFFFAOYSA-N |