3,4-dimethoxy-N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
Chemical Structure Depiction of
3,4-dimethoxy-N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
3,4-dimethoxy-N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | D439-6373 |
| Compound Name: | 3,4-dimethoxy-N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C25 H27 N5 O4 S |
| Smiles: | CC(C)CN1C=NC2=NC(CSc3ccccc3NC(c3ccc(c(c3)OC)OC)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.709 |
| logD: | 2.7056 |
| logSw: | -3.3608 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.172 |
| InChI Key: | POZLPQCKZADZBX-UHFFFAOYSA-N |