2-[(3-fluorophenyl)methyl]-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
2-[(3-fluorophenyl)methyl]-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
2-[(3-fluorophenyl)methyl]-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0562 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C22 H28 F N5 O3 |
| Smiles: | C1CCC2=NN(Cc3cccc(c3)F)C(N2C(C1)C(NCCCN1CCCC1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1756 |
| logD: | 1.1756 |
| logSw: | -1.9608 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.987 |
| InChI Key: | DYRDBRBIPPDKHV-SFHVURJKSA-N |