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
N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
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: | D439-6214 |
| Compound Name: | 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: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | CCCN1C=NC2=NC(CSc3ccccc3NC(c3ccccc3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5443 |
| logD: | 2.5041 |
| logSw: | -2.7985 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.889 |
| InChI Key: | QMMLXWAIYICOMT-UHFFFAOYSA-N |