7-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
7-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one--hydrogen chloride (1/1)
7-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S911-0004 |
| Compound Name: | 7-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one--hydrogen chloride (1/1) |
| Molecular Weight: | 392.89 |
| Molecular Formula: | C18 H24 N6 O2 |
| Salt: | HCl |
| Smiles: | C1CC2=NNC(N2CCC1CC(N1CCN(CC1)c1ccccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7445 |
| logD: | 1.7292 |
| logSw: | -1.9346 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.01 |
| InChI Key: | CZXYKHKRCJWWGM-AWEZNQCLSA-N |