N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}propanamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | G802-1146 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}propanamide |
| Molecular Weight: | 493.54 |
| Molecular Formula: | C24 H23 N5 O5 S |
| Smiles: | CCOc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SC(C)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5095 |
| logD: | 1.5094 |
| logSw: | -2.5091 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.012 |
| InChI Key: | HPGJDOYHPCGORC-HNNXBMFYSA-N |