N-(2-ethyl-6-methylphenyl)-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-(2-ethyl-6-methylphenyl)-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-(2-ethyl-6-methylphenyl)-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: | F798-0550 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-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: | 495.64 |
| Molecular Formula: | C23 H21 N5 O2 S3 |
| Smiles: | CCc1cccc(C)c1NC(CSc1nnc2N(Cc3cccs3)C(c3c(ccs3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4326 |
| logD: | 4.4326 |
| logSw: | -4.1845 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.102 |
| InChI Key: | WCAJKBMYIDBVNU-UHFFFAOYSA-N |