2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0241 |
| Compound Name: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C20 H30 N6 O3 |
| Smiles: | Cc1c(CN2C(N3CCC(CCC3=N2)C(NCCN2CCCC2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8866 |
| logD: | -1.3538 |
| logSw: | -1.1037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.157 |
| InChI Key: | PCZHVUGJIMQCQS-MRXNPFEDSA-N |