2-ethoxy-N-[2-({[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
2-ethoxy-N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
2-ethoxy-N-[2-({[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: | D439-6185 |
| Compound Name: | 2-ethoxy-N-[2-({[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: | 463.56 |
| Molecular Formula: | C24 H25 N5 O3 S |
| Smiles: | CCOc1ccccc1C(Nc1ccccc1SCC1=CC(N2C(N=CN2C(C)C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8691 |
| logD: | 2.6978 |
| logSw: | -3.7503 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.781 |
| InChI Key: | VINAACVAPSLCPF-UHFFFAOYSA-N |