ethyl 4-{2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G856-6695 |
| Compound Name: | ethyl 4-{2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 387.42 |
| Molecular Formula: | C17 H17 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc2NC(C=C(C)n12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8721 |
| logD: | 1.856 |
| logSw: | -2.4915 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.6 |
| InChI Key: | AUWLHDIJEHNHJT-UHFFFAOYSA-N |