3-bromo-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
3-bromo-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
3-bromo-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | D439-6222 |
| Compound Name: | 3-bromo-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 498.4 |
| Molecular Formula: | C22 H20 Br N5 O2 S |
| Smiles: | CCCN1C=NC2=NC(CSc3ccccc3NC(c3cccc(c3)[Br])=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4983 |
| logD: | 3.4571 |
| logSw: | -3.7191 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.889 |
| InChI Key: | ABJFROCNSBFWKR-UHFFFAOYSA-N |