2,2-dimethyl-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
2,2-dimethyl-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
2,2-dimethyl-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: | D439-6125 |
| Compound Name: | 2,2-dimethyl-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: | 399.51 |
| Molecular Formula: | C20 H25 N5 O2 S |
| Smiles: | CC(C)N1C=NC2=NC(CSc3ccccc3NC(C(C)(C)C)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1812 |
| logD: | 2.0124 |
| logSw: | -2.6882 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.842 |
| InChI Key: | OSDZUYFPCMCNFL-UHFFFAOYSA-N |