N-benzyl-2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
N-benzyl-2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Compound characteristics
| Compound ID: | C656-0269 |
| Compound Name: | N-benzyl-2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide |
| Molecular Weight: | 408.85 |
| Molecular Formula: | C20 H17 Cl N6 O2 |
| Smiles: | C(c1ccccc1)NC(CN1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9584 |
| logD: | 1.9584 |
| logSw: | -2.7405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.493 |
| InChI Key: | IYQAGXKRICWCPS-UHFFFAOYSA-N |