5-{[benzyl(2-hydroxyethyl)amino]methyl}-2-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-{[benzyl(2-hydroxyethyl)amino]methyl}-2-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-{[benzyl(2-hydroxyethyl)amino]methyl}-2-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0080 |
| Compound Name: | 5-{[benzyl(2-hydroxyethyl)amino]methyl}-2-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 409.87 |
| Molecular Formula: | C21 H20 Cl N5 O2 |
| Smiles: | C(CO)N(CC1=CC(n2c(N1)nc(c1ccc(cc1)[Cl])n2)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2294 |
| logD: | 2.2978 |
| logSw: | -3.7929 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.686 |
| InChI Key: | NDFPRESYBQWMAT-UHFFFAOYSA-N |