2-({[4-(benzyloxy)phenyl]methyl}amino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-({[4-(benzyloxy)phenyl]methyl}amino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-({[4-(benzyloxy)phenyl]methyl}amino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D043-0095 |
| Compound Name: | 2-({[4-(benzyloxy)phenyl]methyl}amino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 395.85 |
| Molecular Formula: | C20 H18 Cl N5 O2 |
| Smiles: | CC1=C(C(n2c(N1)nc(NCc1ccc(cc1)OCc1ccccc1)n2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6249 |
| logD: | 1.9999 |
| logSw: | -3.8979 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.119 |
| InChI Key: | CUKIFEGRZKBAQH-UHFFFAOYSA-N |