3,4-dimethoxy-N-[4-({[7-oxo-1-(propan-2-yl)-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-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
3,4-dimethoxy-N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | D439-6680 |
| Compound Name: | 3,4-dimethoxy-N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C24 H25 N5 O4 S |
| Smiles: | CC(C)N1C=NC2=NC(CSc3ccc(cc3)NC(c3ccc(c(c3)OC)OC)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4499 |
| logD: | 2.2812 |
| logSw: | -3.0119 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.529 |
| InChI Key: | ATWQQUDKVNHJKI-UHFFFAOYSA-N |