2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | C656-0490 |
| Compound Name: | 2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 438.83 |
| Molecular Formula: | C20 H15 Cl N6 O4 |
| Smiles: | C(C(Nc1ccc2c(c1)OCCO2)=O)N1C=Nc2c(C1=O)nnn2c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.5003 |
| logD: | 1.5003 |
| logSw: | -2.6385 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.131 |
| InChI Key: | TWKIMPXPZHBNIF-UHFFFAOYSA-N |