6-[3-(azepan-1-yl)-3-oxopropyl]-2-{[(4-chlorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[3-(azepan-1-yl)-3-oxopropyl]-2-{[(4-chlorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[3-(azepan-1-yl)-3-oxopropyl]-2-{[(4-chlorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D481-0065 |
| Compound Name: | 6-[3-(azepan-1-yl)-3-oxopropyl]-2-{[(4-chlorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 442.95 |
| Molecular Formula: | C22 H27 Cl N6 O2 |
| Smiles: | CC1=C(CCC(N2CCCCCC2)=O)C(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1374 |
| logD: | 3.0942 |
| logSw: | -3.6312 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.344 |
| InChI Key: | WIXMLGDPCUCVRW-UHFFFAOYSA-N |