ethyl 4-{[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate
ethyl 4-{[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | G856-6659 |
| Compound Name: | ethyl 4-{[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C15 H20 N6 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(CSc1nnc2NC(C=C(C)n12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0714 |
| logD: | 0.0552 |
| logSw: | -2.1627 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.87 |
| InChI Key: | ANOHZQYKAPQFOM-UHFFFAOYSA-N |