2-ethyl-N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]butanamide
Chemical Structure Depiction of
2-ethyl-N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]butanamide
2-ethyl-N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]butanamide
Compound characteristics
| Compound ID: | D439-6128 |
| Compound Name: | 2-ethyl-N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]butanamide |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C21 H27 N5 O2 S |
| Smiles: | CCC(CC)C(Nc1ccccc1SCC1=CC(N2C(N=CN2C(C)C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.679 |
| logD: | 2.5102 |
| logSw: | -3.095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.842 |
| InChI Key: | BQVIIHJAPRLLTP-UHFFFAOYSA-N |