N-(5-chloro-2-methoxyphenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-(5-chloro-2-methoxyphenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6837 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 441.89 |
| Molecular Formula: | C20 H16 Cl N5 O3 S |
| Smiles: | COc1ccc(cc1NC(CSc1nnc2NC(C=C(c3ccccc3)n12)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8541 |
| logD: | 2.8471 |
| logSw: | -3.5815 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.917 |
| InChI Key: | WXBOTKKNNAEBOK-UHFFFAOYSA-N |