N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P032-1926 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C23 H21 N5 O5 |
| Smiles: | COCC1=CC2=NN(CC(Nc3ccc4c(c3)OCCO4)=O)C(N2C(c2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6207 |
| logD: | 1.5997 |
| logSw: | -2.346 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.727 |
| InChI Key: | UKFPDLQZVCDHOX-UHFFFAOYSA-N |