2-ethyl-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
2-ethyl-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
2-ethyl-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0401 |
| Compound Name: | 2-ethyl-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C23 H32 F N5 O2 |
| Smiles: | CCN1C(N2CCC(CCC2=N1)C(NCC1CCN(CC1)Cc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5412 |
| logD: | 0.7519 |
| logSw: | -2.6115 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.658 |
| InChI Key: | HAIGHYAGNPWTAP-IBGZPJMESA-N |