2-(4-methylphenoxy)-N-[2-({[7-oxo-1-(propan-2-yl)-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-(propan-2-yl)-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-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | D439-6162 |
| Compound Name: | 2-(4-methylphenoxy)-N-[2-({[7-oxo-1-(propan-2-yl)-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: | CC(C)N1C=NC2=NC(CSc3ccccc3NC(C(C)Oc3ccc(C)cc3)=O)=CC(N12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3328 |
| logD: | 3.164 |
| logSw: | -3.5916 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.359 |
| InChI Key: | JTQVXDLWKJXKAR-SFHVURJKSA-N |