2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F798-0436 |
| Compound Name: | 2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 491.59 |
| Molecular Formula: | C24 H21 N5 O3 S2 |
| Smiles: | COc1cccc(CNC(CSc2nnc3N(Cc4ccccc4)C(c4c(ccs4)n23)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8861 |
| logD: | 3.8861 |
| logSw: | -4.0593 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.346 |
| InChI Key: | BZLJTKMUZIGOLE-UHFFFAOYSA-N |