5-{[bis(2-hydroxyethyl)amino]methyl}-2-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-{[bis(2-hydroxyethyl)amino]methyl}-2-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-{[bis(2-hydroxyethyl)amino]methyl}-2-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0071 |
| Compound Name: | 5-{[bis(2-hydroxyethyl)amino]methyl}-2-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 363.8 |
| Molecular Formula: | C16 H18 Cl N5 O3 |
| Smiles: | C(CO)N(CCO)CC1=CC(n2c(N1)nc(c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2494 |
| logD: | 0.9086 |
| logSw: | -2.6409 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.592 |
| InChI Key: | SXWWUPZJTUZBSR-UHFFFAOYSA-N |