5-[(azepan-1-yl)methyl]-2-{[(4-chlorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(azepan-1-yl)methyl]-2-{[(4-chlorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(azepan-1-yl)methyl]-2-{[(4-chlorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0070 |
| Compound Name: | 5-[(azepan-1-yl)methyl]-2-{[(4-chlorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 386.88 |
| Molecular Formula: | C19 H23 Cl N6 O |
| Smiles: | C1CCCN(CC1)CC1=CC(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8965 |
| logD: | 2.8965 |
| logSw: | -3.597 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.044 |
| InChI Key: | QSNFEXIYMUDKNR-UHFFFAOYSA-N |