N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Compound characteristics
| Compound ID: | C656-0500 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide |
| Molecular Weight: | 438.83 |
| Molecular Formula: | C20 H15 Cl N6 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C=Nc2c(C1=O)nnn2c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0186 |
| logD: | 2.0186 |
| logSw: | -3.0015 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.745 |
| InChI Key: | DIYZTHWILDLFTQ-UHFFFAOYSA-N |