2-(4-methylphenoxy)-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)propanamide
Chemical Structure Depiction of
2-(4-methylphenoxy)-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)propanamide
2-(4-methylphenoxy)-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)propanamide
Compound characteristics
| Compound ID: | D439-6266 |
| Compound Name: | 2-(4-methylphenoxy)-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)propanamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CCCN1C=NC2=NC(CSc3ccccc3NC(C(C)Oc3ccc(C)cc3)=O)=CC(N12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.392 |
| logD: | 3.3519 |
| logSw: | -3.6166 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.678 |
| InChI Key: | VEZXYEPIGDAPRU-SFHVURJKSA-N |