methyl 4-{2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G856-6794 |
| Compound Name: | methyl 4-{2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc2NC(C=C(c3ccccc3)n12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6919 |
| logD: | 2.685 |
| logSw: | -3.1797 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.158 |
| InChI Key: | JYCZLMHBBFKQQT-UHFFFAOYSA-N |