N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]pentanamide
Chemical Structure Depiction of
N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]pentanamide
N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]pentanamide
Compound characteristics
| Compound ID: | D439-6634 |
| Compound Name: | N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]pentanamide |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C20 H25 N5 O2 S |
| Smiles: | CCCCC(Nc1ccc(cc1)SCC1=CC(N2C(N=CN2C(C)C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5143 |
| logD: | 2.3455 |
| logSw: | -2.9029 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.326 |
| InChI Key: | BXRBHRBOLSUJSR-UHFFFAOYSA-N |