4-ethoxy-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
4-ethoxy-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
4-ethoxy-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: | D439-6691 |
| Compound Name: | 4-ethoxy-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: | 463.56 |
| Molecular Formula: | C24 H25 N5 O3 S |
| Smiles: | CCOc1ccc(cc1)C(Nc1ccc(cc1)SCC1=CC(N2C(N=CN2C(C)C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1947 |
| logD: | 3.0258 |
| logSw: | -3.6411 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.392 |
| InChI Key: | CPBZWIBSYGWYAD-UHFFFAOYSA-N |