1-(azepan-1-yl)-2-(5,7-diphenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-(5,7-diphenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl)ethan-1-one
1-(azepan-1-yl)-2-(5,7-diphenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | D530-0013 |
| Compound Name: | 1-(azepan-1-yl)-2-(5,7-diphenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl)ethan-1-one |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C24 H26 N6 O |
| Smiles: | C1CCCN(CC1)C(CN1C(=CC(c2ccccc2)n2c1nnn2)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9667 |
| logD: | 3.9667 |
| logSw: | -3.9831 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.32 |
| InChI Key: | QMJUGICZZIAYRR-JOCHJYFZSA-N |